4,4-dimethyl-2-(1-sulfanylbutyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(1-sulfanylbutyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(1-sulfanylbutyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercaptobutyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(1-sulfanylbutyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercaptobutyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2S/c1-4-7-12(19)16-13(17)10-8-5-6-9-11(10)15(2,3)14(16)18/h5-6,8-9,12,19H,4,7H2,1-3H3