2,3-dimethyl-4-phenyl-3,4-bis(sulfanyl)isoquinolin-1-one

Systemtic Name: 2,3-dimethyl-4-phenyl-3,4-bis(sulfanyl)isoquinolin-1-one Openeye Name: 2,3-dimethyl-4-phenyl-3,4-bis(sulfanyl)isoquinolin-1-one CAS Name: 3,4-dimercapto-2,3-dimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 2,3-dimethyl-4-phenyl-3,4-bis(sulfanyl)isoquinolin-1-one Traditional Name: 3,4-dimercapto-2,3-dimethyl-4-phenyl-isocarbostyril Formula: C17H17NOS2 MolecularWeight: 315.45298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)N1C)(C3=CC=CC=C3)S)S

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)N1C)(C3=CC=CC=C3)S)S

InChI

InChI=1S/C17H17NOS2/c1-16(20)17(21,12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(19)18(16)2/h3-11,20-21H,1-2H3