(1S,2S)-1-methoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2S)-1-methoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohexane-1-carbonitrile Openeye Name: (1S,2S)-1-methoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohexanecarbonitrile CAS Name: (1S,2S)-1-methoxy-5,5-dimethyl-2-(phenylthio)-1-cyclohexanecarbonitrile IUPAC Name: (1S,2S)-1-methoxy-5,5-dimethyl-2-phenylsulfanylcyclohexane-1-carbonitrile Traditional Name: (1S,2S)-1-methoxy-5,5-dimethyl-2-(phenylthio)cyclohexanecarbonitrile Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1)(C#N)OC)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC[C@@H]([C@](C1)(C#N)OC)SC2=CC=CC=C2)C

InChI

InChI=1S/C16H21NOS/c1-15(2)10-9-14(16(11-15,12-17)18-3)19-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3/t14-,16-/m0/s1