2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C18H14F4N2OS MolecularWeight: 382.375173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H14F4N2OS/c1-11-9-15(18(20,21)22)14(10-23)17(24-11)26-8-2-3-16(25)12-4-6-13(19)7-5-12/h4-7,9H,2-3,8H2,1H3