(3S)-3-[chloranyl-(4-methylphenyl)sulfinyl-methyl]-3-methyl-heptanenitrile

Systemtic Name: (3S)-3-[chloranyl-(4-methylphenyl)sulfinyl-methyl]-3-methyl-heptanenitrile Openeye Name: (3S)-3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-heptanenitrile CAS Name: (3S)-3-[chloro-(4-methylphenyl)sulfinylmethyl]-3-methylheptanenitrile IUPAC Name: (3S)-3-[chloro-(4-methylphenyl)sulfinylmethyl]-3-methylheptanenitrile Traditional Name: (3S)-3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-enanthonitrile Formula: C16H22ClNOS MolecularWeight: 311.86998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC#N)C(S(=O)C1=CC=C(C=C1)C)Cl

Isomeric SMILES

CCCC[C@@](C)(CC#N)C(S(=O)C1=CC=C(C=C1)C)Cl

InChI

InChI=1S/C16H22ClNOS/c1-4-5-10-16(3,11-12-18)15(17)20(19)14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-11H2,1-3H3/t15?,16-,20?/m0/s1