| CAS Number | 893726-63-1 |
| Catalog Number | AG01A0QB |
| Chemical Name | 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C17H16ClN5OS/c1-11-2-4-12(5-3-11)16-21-22-17(25-10-15(24)20-19)23(16)14-8-6-13(18)7-9-14/h2-9H,10,19H2,1H3,(H,20,24) |
| InChI Key | FNPRUIRAHOUPQG-UHFFFAOYSA-N |
| MDL Number | MFCD07364305 |
| Molecular Formula | C17H16ClN5OS |
| Molecular Weight | 373.8598 |
| SMILES | CC1=CC=C(C2N(C3=CC=C(Cl)C=C3)C(SCC(NN)=O)=NN=2)C=C1 |
| Synonyms | 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-63-1,
SBB040744,
ZINC36724722,
AKOS000268682,
MCULE-3961952200,
NE17551,
EN300-110760,
[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.859g/mol |
| Monoisotopic Mass | 373.076g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number