[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4S/c31-21(26-18-7-4-6-16(14-18)24(32)27-17-11-12-17)15-34-25(33)22-28-23(20-10-5-13-35-20)30(29-22)19-8-2-1-3-9-19/h1-10,13-14,17H,11-12,15H2,(H,26,31)(H,27,32)