ethyl 2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propanoylamino]-4-phenyl-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=CC=C2)NC(=O)CCSC3=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NN=CN3C

InChI

InChI=1S/C19H20N4O3S2/c1-3-26-18(25)16-14(13-7-5-4-6-8-13)11-28-17(16)21-15(24)9-10-27-19-22-20-12-23(19)2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,24)