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

Systemtic Name: ethyl 2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N4O3S3 MolecularWeight: 470.58762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S3/c1-2-28-20(27)17-14(15-9-6-10-29-15)11-30-19(17)22-16(26)12-31-21-23-18(24-25-21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,22,26)(H,23,24,25)