2-[(3-chlorophenyl)methylsulfanyl]-6-(2-methylpropyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[(3-chlorophenyl)methylthio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[(3-chlorobenzyl)thio]-6-isobutyl-nicotinonitrile Formula: C17H17ClN2S MolecularWeight: 316.84828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H17ClN2S/c1-12(2)8-16-7-6-14(10-19)17(20-16)21-11-13-4-3-5-15(18)9-13/h3-7,9,12H,8,11H2,1-2H3