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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)OC(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)OC(F)(F)F

InChI

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