N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(3-pyridylmethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(3-pyridinylmethyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2-(2,5-dimethylphenyl)-N-(3-pyridylmethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C25H23N5OS/c1-18-8-9-19(2)22(14-18)30-23(15-21(28-30)24-7-4-13-32-24)25(31)29(12-5-10-26)17-20-6-3-11-27-16-20/h3-4,6-9,11,13-16H,5,12,17H2,1-2H3