2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-isobutyl-nicotinonitrile Formula: C18H17ClN2OS MolecularWeight: 344.85838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2OS/c1-12(2)9-16-8-5-14(10-20)18(21-16)23-11-17(22)13-3-6-15(19)7-4-13/h3-8,12H,9,11H2,1-2H3