2-butylsulfanyl-4-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 2-butylsulfanyl-4-phenyl-cyclohexane-1-carbonitrile Openeye Name: 2-butylsulfanyl-4-phenyl-cyclohexanecarbonitrile CAS Name: 2-(butylthio)-4-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 2-butylsulfanyl-4-phenylcyclohexane-1-carbonitrile Traditional Name: 2-(butylthio)-4-phenyl-cyclohexanecarbonitrile Formula: C17H23NS MolecularWeight: 273.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1CC(CCC1C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1CC(CCC1C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H23NS/c1-2-3-11-19-17-12-15(9-10-16(17)13-18)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-12H2,1H3