[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H14N4O3S2 MolecularWeight: 434.49086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H14N4O3S2/c22-11-14-8-10-30-20(14)23-18(26)13-28-21(27)16-12-25(15-5-2-1-3-6-15)24-19(16)17-7-4-9-29-17/h1-10,12H,13H2,(H,23,26)