2-butyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione

Systemtic Name: 2-butyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione Openeye Name: 2-butyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione CAS Name: 2-butyl-6,7-bis(methylthio)isoquinoline-3,5,8-trione IUPAC Name: 2-butyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione Traditional Name: 2-butyl-6,7-bis(methylthio)isoquinoline-3,5,8-trione Formula: C15H17NO3S2 MolecularWeight: 323.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC

Isomeric SMILES

CCCCN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC

InChI

InChI=1S/C15H17NO3S2/c1-4-5-6-16-8-10-9(7-11(16)17)12(18)14(20-2)15(21-3)13(10)19/h7-8H,4-6H2,1-3H3