5-methyl-6-(4-methylphenyl)-2-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-methyl-6-(4-methylphenyl)-2-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-methyl-6-(p-tolyl)-2-(3,3,3-trifluoro-2-oxo-propyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-methyl-6-(4-methylphenyl)-2-[(3,3,3-trifluoro-2-oxopropyl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-methyl-6-(4-methylphenyl)-2-(3,3,3-trifluoro-2-oxopropyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-methyl-6-(p-tolyl)-2-[(3,3,3-trifluoro-2-keto-propyl)thio]nicotinonitrile Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=N2)SCC(=O)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=N2)SCC(=O)C(F)(F)F)C#N)C

InChI

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