1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-thiazol-2-yl-pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(2-thiazolyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-thiazol-2-yl-pyrazole-4-carboxamide Formula: C16H12N6O3S MolecularWeight: 368.36988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O3S/c17-6-1-8-21-10-13(15(23)19-16-18-7-9-26-16)14(20-21)11-2-4-12(5-3-11)22(24)25/h2-5,7,9-10H,1,8H2,(H,18,19,23)