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

Systemtic Name: 6-cyclopropyl-2-(2-oxidanylidenepropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-cyclopropyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(2-oxopropylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-(2-oxopropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile Formula: C13H11F3N2OS MolecularWeight: 300.29945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

InChI

InChI=1S/C13H11F3N2OS/c1-7(19)6-20-12-9(5-17)10(13(14,15)16)4-11(18-12)8-2-3-8/h4,8H,2-3,6H2,1H3