methyl 5-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 5-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 5-methyl-2-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-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 5-methyl-2-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-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: C22H20N4O3S3 MolecularWeight: 484.6142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S3/c1-13-17(14-8-5-4-6-9-14)18(21(28)29-3)20(32-13)23-16(27)12-31-22-25-24-19(26(22)2)15-10-7-11-30-15/h4-11H,12H2,1-3H3,(H,23,27)