2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylthio]propyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-methyl-2-[(2,4,6-trimethylbenzyl)thio]propyl]-4H-isoquinoline-1,3-quinone Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC(C)(C)CN2C(=O)CC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC(C)(C)CN2C(=O)CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C23H27NO2S/c1-15-10-16(2)20(17(3)11-15)13-27-23(4,5)14-24-21(25)12-18-8-6-7-9-19(18)22(24)26/h6-11H,12-14H2,1-5H3