AG003RDP

187164-19-8 | 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile

AG003RDP

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CAS Number	187164-19-8
Catalog Number	AG003RDP(AGN-PC-0QGAMA)
Chemical Name	2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
IUPAC Name	(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
InChI	InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1
InChI Key	YTAOBBFIOAEMLL-REQDGWNSSA-N
MDL Number	MFCD00953915
Molecular Formula	C14H9Cl2N3S2
Molecular Weight	354.2774
SMILES	N#C/C(N1C=CN=C1)=C2SC[C@@H](C3=CC=C(Cl)C=C3Cl)S/2
UNII	RE91AN4S8G
Synonyms	(2E)-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile, 4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene-1-imidazolylacetonitrile, Lulicon, luliconazole, NND 502, NND-502, NND502, Luliconazole, 187164-19-8, Lulicon, NND-502, Luzu, PR-2699, NND 502, UNII-RE91AN4S8G, RE91AN4S8G, NCGC00182704-01, NCGC00182704-02, CHEBI:34825, 4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene-1-imidazolylacetonitrile, (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile, (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile, NCGC00182704-03, (R,E)-2-(4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile, DSSTox_CID_28533, DSSTox_RID_82805, DSSTox_GSID_48607, NND502, CAS-187164-19-8, Luliconazole [USAN:INN], Lulicon (TN), Imidazole antimycotic, Luzu (TN), AC1MHEOF, Lulicon|||NND 502, SCHEMBL342362, GTPL7366, Luliconazole (JAN/USAN/INN), CHEMBL2105689, DTXSID3048607, Luliconazole, >=98% (HPLC), ZINC3929486, Tox21_112942, Tox21_112974, MFCD00953915, s4258, AKOS015897320, Tox21_112974_1, AM84645, BCP9000863, CS-0587, DB08933, DS-3278, SB18987, AN-15036, HY-14283, SW219226-1, A11481, C13478, D01980, W-5249, 164L198, SR-01000945039, SR-01000945039-1, UNII-5JA16R08FJ component YTAOBBFIOAEMLL-REQDGWNSSA-N, (-)-(E)-((4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile, 1H-Imidazole-1-acetonitrile, alpha-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)-, 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile, Lulifin, Luliconazole [INN], D0U4XJ, Carboxymethylcellulose sodium, C14H9Cl2N3S2, C14-H9-Cl2-N3-S2, JA-004, JA-005, ACN-036087, CID3003141, CS-O-30625, C112528, (2E)-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile,

Complexity	476
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	352.961g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	354.267g/mol
Monoisotopic Mass	352.961g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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