2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4,4-dimethyl-6-oxo-cyclohexene-1-carbonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4,4-dimethyl-6-oxo-1-cyclohexenecarbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4,4-dimethyl-6-oxocyclohexene-1-carbonitrile Traditional Name: 6-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4,4-dimethyl-cyclohexene-1-carbonitrile Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C#N)SCC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C#N)SCC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H19NO3S/c1-18(2)8-15(20)14(10-19)17(9-18)23-11-16(21)12-4-6-13(22-3)7-5-12/h4-7H,8-9,11H2,1-3H3