2-methyl-3-[3-(2-methylsulfanylethyl)-2,6-bis(oxidanylidene)cyclohexyl]benzene-1,4-dicarbonitrile

Systemtic Name: 2-methyl-3-[3-(2-methylsulfanylethyl)-2,6-bis(oxidanylidene)cyclohexyl]benzene-1,4-dicarbonitrile Openeye Name: 2-methyl-3-[3-(2-methylsulfanylethyl)-2,6-dioxo-cyclohexyl]terephthalonitrile CAS Name: 2-methyl-3-[3-[2-(methylthio)ethyl]-2,6-dioxocyclohexyl]benzene-1,4-dicarbonitrile IUPAC Name: 2-methyl-3-[3-(2-methylsulfanylethyl)-2,6-dioxocyclohexyl]benzene-1,4-dicarbonitrile Traditional Name: 2-[2,6-diketo-3-[2-(methylthio)ethyl]cyclohexyl]-3-methyl-terephthalonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2C(=O)CCC(C2=O)CCSC)C#N)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C2C(=O)CCC(C2=O)CCSC)C#N)C#N

InChI

InChI=1S/C18H18N2O2S/c1-11-13(9-19)3-4-14(10-20)16(11)17-15(21)6-5-12(18(17)22)7-8-23-2/h3-4,12,17H,5-8H2,1-2H3