| CAS Number | 893727-39-4 |
| Catalog Number | AG01A0R7 |
| Chemical Name | 2-([4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetohydrazide |
| IUPAC Name | 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C17H18N6O2S/c1-2-25-14-7-5-13(6-8-14)23-16(12-4-3-9-19-10-12)21-22-17(23)26-11-15(24)20-18/h3-10H,2,11,18H2,1H3,(H,20,24) |
| InChI Key | LAZUWDZODFDLNE-UHFFFAOYSA-N |
| MDL Number | MFCD07364341 |
| Molecular Formula | C17H18N6O2S |
| Molecular Weight | 370.4288 |
| SMILES | CCOC1=CC=C(N2C(C3=CN=CC=C3)=NN=C2SCC(NN)=O)C=C1 |
| Synonyms | 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893727-39-4,
SBB040784,
ZINC36724771,
AKOS000268999,
MCULE-9252000722,
NE22812,
EN300-110794,
[4-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.431g/mol |
| Monoisotopic Mass | 370.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number