2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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