2-(2,2-dimethyl-5-oxidanylidene-cyclohexyl)-2-phenylsulfanyl-ethanenitrile

Systemtic Name: 2-(2,2-dimethyl-5-oxidanylidene-cyclohexyl)-2-phenylsulfanyl-ethanenitrile Openeye Name: 2-(2,2-dimethyl-5-oxo-cyclohexyl)-2-phenylsulfanyl-acetonitrile CAS Name: 2-(2,2-dimethyl-5-oxocyclohexyl)-2-(phenylthio)acetonitrile IUPAC Name: 2-(2,2-dimethyl-5-oxocyclohexyl)-2-phenylsulfanylacetonitrile Traditional Name: 2-(5-keto-2,2-dimethyl-cyclohexyl)-2-(phenylthio)acetonitrile Formula: C16H19NOS MolecularWeight: 273.39316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)CC1C(C#N)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(=O)CC1C(C#N)SC2=CC=CC=C2)C

InChI

InChI=1S/C16H19NOS/c1-16(2)9-8-12(18)10-14(16)15(11-17)19-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3