3-(3-methylphenyl)-2-methylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one

Systemtic Name: 3-(3-methylphenyl)-2-methylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one Openeye Name: 2-methylsulfanyl-3-(m-tolyl)-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one CAS Name: 3-(3-methylphenyl)-2-(methylthio)-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one IUPAC Name: 3-(3-methylphenyl)-2-methylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one Traditional Name: 2-(methylthio)-3-(m-tolyl)-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one Formula: C13H12N3OS2+ MolecularWeight: 290.38388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(SC3=C2NC=NC3=O)SC

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(SC3=C2NC=NC3=O)SC

InChI

InChI=1S/C13H11N3OS2/c1-8-4-3-5-9(6-8)16-11-10(19-13(16)18-2)12(17)15-7-14-11/h3-7H,1-2H3/p+1