7-[4-[1-(fluoranylmethyl)-4-oxidanylidene-pyridin-3-yl]phenyl]sulfanyl-2-methyl-heptanenitrile

Systemtic Name: 7-[4-[1-(fluoranylmethyl)-4-oxidanylidene-pyridin-3-yl]phenyl]sulfanyl-2-methyl-heptanenitrile Openeye Name: 7-[4-[1-(fluoromethyl)-4-oxo-3-pyridyl]phenyl]sulfanyl-2-methyl-heptanenitrile CAS Name: 7-[[4-[1-(fluoromethyl)-4-oxo-3-pyridinyl]phenyl]thio]-2-methylheptanenitrile IUPAC Name: 7-[4-[1-(fluoromethyl)-4-oxopyridin-3-yl]phenyl]sulfanyl-2-methylheptanenitrile Traditional Name: 7-[[4-[1-(fluoromethyl)-4-keto-3-pyridyl]phenyl]thio]-2-methyl-enanthonitrile Formula: C20H23FN2OS MolecularWeight: 358.472823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCSC1=CC=C(C=C1)C2=CN(C=CC2=O)CF)C#N

Isomeric SMILES

CC(CCCCCSC1=CC=C(C=C1)C2=CN(C=CC2=O)CF)C#N

InChI

InChI=1S/C20H23FN2OS/c1-16(13-22)5-3-2-4-12-25-18-8-6-17(7-9-18)19-14-23(15-21)11-10-20(19)24/h6-11,14,16H,2-5,12,15H2,1H3