4-[3,5-bis(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C20H13F6N3OS MolecularWeight: 457.392139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSC2=NC=CC(=C2C(=O)N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CN=CC=C1CSC2=NC=CC(=C2C(=O)N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N3OS/c21-19(22,23)13-7-12(8-14(9-13)20(24,25)26)15-3-6-29-18(16(15)17(27)30)31-10-11-1-4-28-5-2-11/h1-9H,10H2,(H2,27,30)