(1S,2S,4R)-4-tert-butyl-1-methoxy-2-phenylsulfanyl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2S,4R)-4-tert-butyl-1-methoxy-2-phenylsulfanyl-cyclohexane-1-carbonitrile Openeye Name: (1S,2S,4R)-4-tert-butyl-1-methoxy-2-phenylsulfanyl-cyclohexanecarbonitrile CAS Name: (1S,2S,4R)-4-tert-butyl-1-methoxy-2-(phenylthio)-1-cyclohexanecarbonitrile IUPAC Name: (1S,2S,4R)-4-tert-butyl-1-methoxy-2-phenylsulfanylcyclohexane-1-carbonitrile Traditional Name: (1S,2S,4R)-4-tert-butyl-1-methoxy-2-(phenylthio)cyclohexanecarbonitrile Formula: C18H25NOS MolecularWeight: 303.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)SC2=CC=CC=C2)(C#N)OC

Isomeric SMILES

CC(C)(C)[C@@H]1CC[C@@]([C@H](C1)SC2=CC=CC=C2)(C#N)OC

InChI

InChI=1S/C18H25NOS/c1-17(2,3)14-10-11-18(13-19,20-4)16(12-14)21-15-8-6-5-7-9-15/h5-9,14,16H,10-12H2,1-4H3/t14-,16+,18+/m1/s1