2-(2-cyclohexylsulfanyl-3,4-dimethoxy-phenyl)ethanenitrile

Systemtic Name: 2-(2-cyclohexylsulfanyl-3,4-dimethoxy-phenyl)ethanenitrile Openeye Name: 2-(2-cyclohexylsulfanyl-3,4-dimethoxy-phenyl)acetonitrile CAS Name: 2-[2-(cyclohexylthio)-3,4-dimethoxyphenyl]acetonitrile IUPAC Name: 2-(2-cyclohexylsulfanyl-3,4-dimethoxyphenyl)acetonitrile Traditional Name: 2-[2-(cyclohexylthio)-3,4-dimethoxy-phenyl]acetonitrile Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC#N)SC2CCCCC2)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC#N)SC2CCCCC2)OC

InChI

InChI=1S/C16H21NO2S/c1-18-14-9-8-12(10-11-17)16(15(14)19-2)20-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3