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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2-amino-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c22-18(26)17(14-8-3-1-4-9-14)28-21(27)19-23-20(16-12-7-13-29-16)25(24-19)15-10-5-2-6-11-15/h1-13,17H,(H2,22,26)