2-methylsulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]nicotinamide Formula: C18H18F3N3OS MolecularWeight: 381.41523

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C18H18F3N3OS/c1-26-17-13(5-4-8-22-17)16(25)23-14-11-12(18(19,20)21)6-7-15(14)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H,23,25)