N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1-methyl-4-piperidyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-methyl-4-piperidinyl)-3-pyrazolyl]-2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1-methyl-4-piperidyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]thio]nicotinamide Formula: C22H22F3N5OS MolecularWeight: 461.50319

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N5OS/c1-29-12-8-16(9-13-29)30-19(7-11-27-30)28-20(31)18-6-3-10-26-21(18)32-17-5-2-4-15(14-17)22(23,24)25/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,28,31)