4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-N-phenyl-benzamide Formula: C22H16F3N3OS MolecularWeight: 427.44215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H16F3N3OS/c1-14-11-19(22(23,24)25)18(12-26)21(27-14)30-13-15-7-9-16(10-8-15)20(29)28-17-5-3-2-4-6-17/h2-11H,13H2,1H3,(H,28,29)