6-chloranyl-4-methyl-2-methylsulfanyl-2H-pyrazin-4-ium-3-one

Systemtic Name: 6-chloranyl-4-methyl-2-methylsulfanyl-2H-pyrazin-4-ium-3-one Openeye Name: 6-chloro-4-methyl-2-methylsulfanyl-2H-pyrazin-4-ium-3-one CAS Name: 6-chloro-4-methyl-2-(methylthio)-2H-pyrazin-4-ium-3-one IUPAC Name: 6-chloro-4-methyl-2-methylsulfanyl-2H-pyrazin-4-ium-3-one Traditional Name: 6-chloro-4-methyl-2-(methylthio)-2H-pyrazin-4-ium-3-one Formula: C6H8ClN2OS+ MolecularWeight: 191.65852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=NC(C1=O)SC)Cl

Isomeric SMILES

C[N+]1=CC(=NC(C1=O)SC)Cl

InChI

InChI=1S/C6H8ClN2OS/c1-9-3-4(7)8-5(11-2)6(9)10/h3,5H,1-2H3/q+1