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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H14ClN3O3S/c22-15-10-8-14(9-11-15)17(26)13-28-21(27)19-23-20(18-7-4-12-29-18)25(24-19)16-5-2-1-3-6-16/h1-12H,13H2