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

Systemtic Name: 1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C17H13N5O3S MolecularWeight: 367.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C17H13N5O3S/c18-8-2-9-21-11-14(16(20-21)15-3-1-10-26-15)17(23)19-12-4-6-13(7-5-12)22(24)25/h1,3-7,10-11H,2,9H2,(H,19,23)