(2-cyanophenyl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 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-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 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-cyanobenzyl) ester Formula: C21H14N4O2S MolecularWeight: 386.42646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C21H14N4O2S/c22-13-15-7-4-5-8-16(15)14-27-21(26)19-23-20(18-11-6-12-28-18)25(24-19)17-9-2-1-3-10-17/h1-12H,14H2