N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-2-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[5-tert-butyl-2-(4-cyanophenyl)-3-pyrazolyl]-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-2-(propylthio)nicotinamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)C#N)C(C)(C)C

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)C#N)C(C)(C)C

InChI

InChI=1S/C23H25N5OS/c1-5-13-30-22-18(7-6-12-25-22)21(29)26-20-14-19(23(2,3)4)27-28(20)17-10-8-16(15-24)9-11-17/h6-12,14H,5,13H2,1-4H3,(H,26,29)