2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C19H19FN2OS MolecularWeight: 342.430363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCCCC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCCC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H19FN2OS/c1-12-13(2)17(11-21)19(22-14(12)3)24-10-4-5-18(23)15-6-8-16(20)9-7-15/h6-9H,4-5,10H2,1-3H3