[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-16(22(31)21-14-13-20(34-21)15-26-17(2)30)33-25(32)23-27-24(18-9-5-3-6-10-18)29(28-23)19-11-7-4-8-12-19/h3-14,16H,15H2,1-2H3,(H,26,30)