N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-28-16-10-14(20(21,22)23)9-15(11-16)26-18(27)17-3-2-6-25-19(17)29-12-13-4-7-24-8-5-13/h2-11H,12H2,1H3,(H,26,27)