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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-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-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 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-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-28-21(26)18(15-9-4-2-5-10-15)29-22(27)19-23-20(17-13-8-14-30-17)25(24-19)16-11-6-3-7-12-16/h2-14,18H,1H3