| CAS Number | 893726-54-0 |
| Catalog Number | AG01A0Q7 |
| Chemical Name | 2-([4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetohydrazide |
| IUPAC Name | 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C17H16ClN5O2S/c1-25-14-8-2-11(3-9-14)16-21-22-17(26-10-15(24)20-19)23(16)13-6-4-12(18)5-7-13/h2-9H,10,19H2,1H3,(H,20,24) |
| InChI Key | FULJBWUELVZLMD-UHFFFAOYSA-N |
| MDL Number | MFCD07364301 |
| Molecular Formula | C17H16ClN5O2S |
| Molecular Weight | 389.8592 |
| SMILES | COC1=CC=C(C2N(C3=CC=C(Cl)C=C3)C(SCC(NN)=O)=NN=2)C=C1 |
| Synonyms | 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-54-0,
SBB040740,
ZINC36724714,
AKOS000268680,
MCULE-5385680690,
NE29308,
EN300-110756,
2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetohydrazid e,
[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
|
| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.858g/mol |
| Monoisotopic Mass | 389.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number