3,5,5-trimethyl-3-(methylsulfanylmethoxy)cyclohexene-1-carbonitrile

Systemtic Name: 3,5,5-trimethyl-3-(methylsulfanylmethoxy)cyclohexene-1-carbonitrile Openeye Name: 3,5,5-trimethyl-3-(methylsulfanylmethoxy)cyclohexene-1-carbonitrile CAS Name: 3,5,5-trimethyl-3-[(methylthio)methoxy]-1-cyclohexenecarbonitrile IUPAC Name: 3,5,5-trimethyl-3-(methylsulfanylmethoxy)cyclohexene-1-carbonitrile Traditional Name: 3,5,5-trimethyl-3-[(methylthio)methoxy]cyclohexene-1-carbonitrile Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(C1)(C)OCSC)C#N)C

Isomeric SMILES

CC1(CC(=CC(C1)(C)OCSC)C#N)C

InChI

InChI=1S/C12H19NOS/c1-11(2)5-10(7-13)6-12(3,8-11)14-9-15-4/h6H,5,8-9H2,1-4H3