(1S,2R,6S)-2-methyl-6-(4-methylphenyl)sulfinyl-cyclohex-3-ene-1-carbonitrile

Systemtic Name: (1S,2R,6S)-2-methyl-6-(4-methylphenyl)sulfinyl-cyclohex-3-ene-1-carbonitrile Openeye Name: (1S,2R,6S)-2-methyl-6-(p-tolylsulfinyl)cyclohex-3-ene-1-carbonitrile CAS Name: (1S,2R,6S)-2-methyl-6-(4-methylphenyl)sulfinyl-1-cyclohex-3-enecarbonitrile IUPAC Name: (1S,2R,6S)-2-methyl-6-(4-methylphenyl)sulfinylcyclohex-3-ene-1-carbonitrile Traditional Name: (1S,2R,6S)-2-methyl-6-(p-tolylsulfinyl)cyclohex-3-ene-1-carbonitrile Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C#N)S(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1C=CC[C@@H]([C@@H]1C#N)S(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H17NOS/c1-11-6-8-13(9-7-11)18(17)15-5-3-4-12(2)14(15)10-16/h3-4,6-9,12,14-15H,5H2,1-2H3/t12-,14-,15+,18?/m1/s1