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

Systemtic Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-[anilino(oxo)methyl]-3-methyl-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-4-(phenylcarbamoyl)-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=NN2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=NN2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H19N5O4S2/c1-3-28-18(27)15-11(2)14(16(26)22-12-7-5-4-6-8-12)17(30-15)23-13(25)9-29-19-20-10-21-24-19/h4-8,10H,3,9H2,1-2H3,(H,22,26)(H,23,25)(H,20,21,24)