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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-3-28-20(27)17-15(13-9-10-13)11-29-19(17)22-16(26)12-30-21-24-23-18(25(21)2)14-7-5-4-6-8-14/h4-8,11,13H,3,9-10,12H2,1-2H3,(H,22,26)