5-ethanoyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)benzyl]thio]nicotinonitrile Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C#N)C(=O)C

InChI

InChI=1S/C17H13F3N2OS/c1-10-15(11(2)23)7-13(8-21)16(22-10)24-9-12-4-3-5-14(6-12)17(18,19)20/h3-7H,9H2,1-2H3