2-methyl-4,6,7-tris(methylsulfanyl)isoquinoline-3,5,8-trione

Systemtic Name: 2-methyl-4,6,7-tris(methylsulfanyl)isoquinoline-3,5,8-trione Openeye Name: 2-methyl-4,6,7-tris(methylsulfanyl)isoquinoline-3,5,8-trione CAS Name: 2-methyl-4,6,7-tris(methylthio)isoquinoline-3,5,8-trione IUPAC Name: 2-methyl-4,6,7-tris(methylsulfanyl)isoquinoline-3,5,8-trione Traditional Name: 2-methyl-4,6,7-tris(methylthio)isoquinoline-3,5,8-trione Formula: C13H13NO3S3 MolecularWeight: 327.44222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=C(C1=O)SC)C(=O)C(=C(C2=O)SC)SC

Isomeric SMILES

CN1C=C2C(=C(C1=O)SC)C(=O)C(=C(C2=O)SC)SC

InChI

InChI=1S/C13H13NO3S3/c1-14-5-6-7(10(18-2)13(14)17)9(16)12(20-4)11(19-3)8(6)15/h5H,1-4H3