| CAS Number | 893726-56-2 |
| Catalog Number | AG01A0Q8 |
| Chemical Name | 2-([5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetohydrazide |
| IUPAC Name | 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C18H19N5O2S/c1-12-3-7-14(8-4-12)23-17(13-5-9-15(25-2)10-6-13)21-22-18(23)26-11-16(24)20-19/h3-10H,11,19H2,1-2H3,(H,20,24) |
| InChI Key | COIKNARHUIHXMN-UHFFFAOYSA-N |
| MDL Number | MFCD07364302 |
| Molecular Formula | C18H19N5O2S |
| Molecular Weight | 369.4408 |
| SMILES | COC1=CC=C(C2N(C3=CC=C(C)C=C3)C(SCC(NN)=O)=NN=2)C=C1 |
| Synonyms | 2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-56-2,
SBB040741,
ZINC36724716,
AKOS000268685,
MCULE-1069232807,
NE25414,
EN300-110757,
[5-(4-Methoxyphenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-[5-(4-methoxyphenyl)-4-(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