2-(2-oxidanylidenepropylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-oxidanylidenepropylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(2-oxopropylthio)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-oxopropylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F3N2OS/c1-10(22)9-23-15-12(8-20)13(16(17,18)19)7-14(21-15)11-5-3-2-4-6-11/h2-7H,9H2,1H3