(2E)-1-(2-methylsulfanylcyclohexyl)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-(2-methylsulfanylcyclohexyl)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(2-methylsulfanylcyclohexyl)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-[2-(methylthio)cyclohexyl]-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(2-methylsulfanylcyclohexyl)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-[2-(methylthio)cyclohexyl]-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone Formula: C22H31NOS MolecularWeight: 357.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=CC(=O)C3CCCCC3SC)NC1(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2/C(=C\C(=O)C3CCCCC3SC)/NC1(C)C)C

InChI

InChI=1S/C22H31NOS/c1-21(2)17-12-8-6-10-15(17)18(23-22(21,3)4)14-19(24)16-11-7-9-13-20(16)25-5/h6,8,10,12,14,16,20,23H,7,9,11,13H2,1-5H3/b18-14+