| CAS Number | 893727-47-4 |
| Catalog Number | AG01A0RA |
| Chemical Name | 2-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C17H17N5OS/c1-12-7-5-6-10-14(12)22-16(13-8-3-2-4-9-13)20-21-17(22)24-11-15(23)19-18/h2-10H,11,18H2,1H3,(H,19,23) |
| InChI Key | VAPTZSCZORLGDJ-UHFFFAOYSA-N |
| MDL Number | MFCD07364344 |
| Molecular Formula | C17H17N5OS |
| Molecular Weight | 339.4148 |
| SMILES | CC1=C(N2C(C3=CC=CC=C3)=NN=C2SCC(NN)=O)C=CC=C1 |
| Synonyms | 2-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893727-47-4,
SBB040789,
ZINC36724777,
AKOS000269016,
MCULE-9902189142,
NE46293,
EN300-110797,
(5-Phenyl-4-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid hydrazide,
2-[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetohydrazide,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.417g/mol |
| Monoisotopic Mass | 339.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number