4,4-dimethyl-2-(4-methyl-1-sulfanyl-pentyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(4-methyl-1-sulfanyl-pentyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(4-methyl-1-sulfanyl-pentyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercapto-4-methylpentyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(4-methyl-1-sulfanylpentyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercapto-4-methyl-pentyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

Isomeric SMILES

CC(C)CCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

InChI

InChI=1S/C17H23NO2S/c1-11(2)9-10-14(21)18-15(19)12-7-5-6-8-13(12)17(3,4)16(18)20/h5-8,11,14,21H,9-10H2,1-4H3