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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c1-4-28-20(27)18-15(10-14(2)3)11-29-19(18)23-17(26)12-30-21-24-22-13-25(21)16-8-6-5-7-9-16/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,26)