(1R,2R,3S,4R)-3-ethenyl-3,4-dimethyl-2-(3-oxidanylbutyl)-1-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]cyclohexane-1-carbonitrile

Systemtic Name: (1R,2R,3S,4R)-3-ethenyl-3,4-dimethyl-2-(3-oxidanylbutyl)-1-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S,4R)-2-(3-hydroxybutyl)-3,4-dimethyl-1-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]-3-vinyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S,4R)-3-ethenyl-2-(3-hydroxybutyl)-3,4-dimethyl-1-[(1E,3E)-4-(phenylthio)buta-1,3-dienyl]-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S,4R)-3-ethenyl-2-(3-hydroxybutyl)-3,4-dimethyl-1-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]cyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S,4R)-2-(3-hydroxybutyl)-3,4-dimethyl-1-[(1E,3E)-4-(phenylthio)buta-1,3-dienyl]-3-vinyl-cyclohexanecarbonitrile Formula: C25H33NOS MolecularWeight: 395.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1(C)C=C)CCC(C)O)(C=CC=CSC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@@H]1CC[C@]([C@@H]([C@@]1(C)C=C)CCC(C)O)(/C=C/C=C/SC2=CC=CC=C2)C#N

InChI

InChI=1S/C25H33NOS/c1-5-24(4)20(2)15-17-25(19-26,23(24)14-13-21(3)27)16-9-10-18-28-22-11-7-6-8-12-22/h5-12,16,18,20-21,23,27H,1,13-15,17H2,2-4H3/b16-9+,18-10+/t20-,21?,23-,24+,25-/m1/s1