| CAS Number | 893727-15-6 |
| Catalog Number | AG01A0R3 |
| Chemical Name | 2-([4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetohydrazide |
| IUPAC Name | 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C15H13ClN6OS/c16-11-1-3-12(4-2-11)22-14(10-5-7-18-8-6-10)20-21-15(22)24-9-13(23)19-17/h1-8H,9,17H2,(H,19,23) |
| InChI Key | NKPSRVICUUYUHA-UHFFFAOYSA-N |
| MDL Number | MFCD07364333 |
| Molecular Formula | C15H13ClN6OS |
| Molecular Weight | 360.8213 |
| SMILES | NNC(CSC1N(C2=CC=C(Cl)C=C2)C(C2=CC=NC=C2)=NN=1)=O |
| Synonyms | 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893727-15-6,
SBB040780,
ZINC36724762,
AKOS000268986,
MCULE-5484123836,
NE24010,
EN300-110790,
[4-(4-chlorophenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.82g/mol |
| Monoisotopic Mass | 360.056g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number