MLS000041497
ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
Also Known As: ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate|4-cyano-3-methyl-5-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester|4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester|ethyl 4-cyano-3-methyl-5-({[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-2-carboxylate|ethyl 4-cyano-3-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2-carboxylate|ethyl 4-cyano-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate
| Molecular Formula | C19H17N5O3S2 |
|---|---|
| Molecular Weight | 427.07727 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.07727 |
| Monoisotopic Mass | 427.07727 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 714286-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C#N)C |
| InChIKey | KIQCZVXDRJVCBW-UHFFFAOYSA-N |
Product Overview
MLS000041497 (CAS 714286-63-2), with molecular formula C19H17N5O3S2 and molecular weight 427.07727 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate.