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

Systemtic Name: ethyl 3-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H20N4O3S3 MolecularWeight: 484.6142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=CS4

InChI

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