2-(quinolin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(quinolin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-(4-quinolylmethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-(4-quinolinylmethylthio)-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(quinolin-4-ylmethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-(4-quinolylmethylthio)-N-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C23H16F3N3O2S MolecularWeight: 455.45225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C23H16F3N3O2S/c24-23(25,26)31-17-9-7-16(8-10-17)29-21(30)19-5-3-12-28-22(19)32-14-15-11-13-27-20-6-2-1-4-18(15)20/h1-13H,14H2,(H,29,30)