| CAS Number | 893726-52-8 |
| Catalog Number | AG01A0Q6 |
| Chemical Name | 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C18H19N5O2S/c1-12-3-5-13(6-4-12)17-21-22-18(26-11-16(24)20-19)23(17)14-7-9-15(25-2)10-8-14/h3-10H,11,19H2,1-2H3,(H,20,24) |
| InChI Key | BWOOILBCDRGOGG-UHFFFAOYSA-N |
| MDL Number | MFCD07364300 |
| Molecular Formula | C18H19N5O2S |
| Molecular Weight | 369.4408 |
| SMILES | COC1=CC=C(N2C(C3=CC=C(C)C=C3)=NN=C2SCC(NN)=O)C=C1 |
| Synonyms | 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-52-8,
SBB040739,
ZINC36724712,
AKOS000268679,
MCULE-3455943730,
NE36889,
EN300-110755,
[4-(4-Methoxyphenyl)-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetohydrazid e,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.443g/mol |
| Monoisotopic Mass | 369.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number