N-[3,5-dimethyl-4-(trifluoromethyloxy)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[3,5-dimethyl-4-(trifluoromethyloxy)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[3,5-dimethyl-4-(trifluoromethoxy)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3,5-dimethyl-4-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[3,5-dimethyl-4-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[3,5-dimethyl-4-(trifluoromethoxy)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(F)(F)F)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC(F)(F)F)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C21H18F3N3O2S/c1-13-10-16(11-14(2)18(13)29-21(22,23)24)27-19(28)17-4-3-7-26-20(17)30-12-15-5-8-25-9-6-15/h3-11H,12H2,1-2H3,(H,27,28)