ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(p-tolyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-(p-tolyl)-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C19H20N4O3S2/c1-4-26-18(25)16-15(13-7-5-11(2)6-8-13)12(3)28-17(16)22-14(24)9-27-19-20-10-21-23-19/h5-8,10H,4,9H2,1-3H3,(H,22,24)(H,20,21,23)