ethyl 4-cyano-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 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 IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H17N5O3S2/c1-3-27-18(26)15-11(2)13(9-20)17(29-15)21-14(25)10-28-19-22-16(23-24-19)12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3,(H,21,25)(H,22,23,24)