[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

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