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

Systemtic Name: ethyl 4-phenyl-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]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=CC=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

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