2-(1-methyl-3-oxidanylidene-cyclohexyl)-2-phenylsulfanyl-ethanenitrile

Systemtic Name: 2-(1-methyl-3-oxidanylidene-cyclohexyl)-2-phenylsulfanyl-ethanenitrile Openeye Name: 2-(1-methyl-3-oxo-cyclohexyl)-2-phenylsulfanyl-acetonitrile CAS Name: 2-(1-methyl-3-oxocyclohexyl)-2-(phenylthio)acetonitrile IUPAC Name: 2-(1-methyl-3-oxocyclohexyl)-2-phenylsulfanylacetonitrile Traditional Name: 2-(3-keto-1-methyl-cyclohexyl)-2-(phenylthio)acetonitrile Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1)C(C#N)SC2=CC=CC=C2

Isomeric SMILES

CC1(CCCC(=O)C1)C(C#N)SC2=CC=CC=C2

InChI

InChI=1S/C15H17NOS/c1-15(9-5-6-12(17)10-15)14(11-16)18-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-10H2,1H3