3-methyl-5-methylsulfanyl-isoindolo[2,3-a]quinazolin-12-ium-11-one

Systemtic Name: 3-methyl-5-methylsulfanyl-isoindolo[2,3-a]quinazolin-12-ium-11-one Openeye Name: 3-methyl-5-methylsulfanyl-isoindolo[2,3-a]quinazolin-12-ium-11-one CAS Name: 3-methyl-5-(methylthio)-11-isoindolo[2,3-a]quinazolin-12-iumone IUPAC Name: 3-methyl-5-methylsulfanylisoindolo[2,3-a]quinazolin-12-ium-11-one Traditional Name: 3-methyl-5-(methylthio)isoindolo[2,3-a]quinazolin-12-ium-11-one Formula: C17H13N2OS+ MolecularWeight: 293.36292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+]3=C(C4=CC=CC=C4C3=O)N=C2SC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+]3=C(C4=CC=CC=C4C3=O)N=C2SC

InChI

InChI=1S/C17H13N2OS/c1-10-7-8-14-13(9-10)16(21-2)18-15-11-5-3-4-6-12(11)17(20)19(14)15/h3-9H,1-2H3/q+1