(2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-methylsulfanylcyclohexyl)ethanone

Systemtic Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-methylsulfanylcyclohexyl)ethanone Openeye Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-methylsulfanylcyclohexyl)ethanone CAS Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-[2-(methylthio)cyclohexyl]ethanone IUPAC Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-methylsulfanylcyclohexyl)ethanone Traditional Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-[2-(methylthio)cyclohexyl]ethanone Formula: C20H27NOS MolecularWeight: 329.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3CCCCC3SC)N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C\C(=O)C3CCCCC3SC)/N1)C

InChI

InChI=1S/C20H27NOS/c1-20(2)13-14-8-4-5-9-15(14)17(21-20)12-18(22)16-10-6-7-11-19(16)23-3/h4-5,8-9,12,16,19,21H,6-7,10-11,13H2,1-3H3/b17-12+