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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C4=CC=CS4

InChI

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