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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N

InChI

InChI=1S/C16H12N6O3S/c17-5-2-7-21-10-13(15(23)19-16-18-6-8-26-16)14(20-21)11-3-1-4-12(9-11)22(24)25/h1,3-4,6,8-10H,2,7H2,(H,18,19,23)