4-azanyl-3-(4-methylphenyl)-2-methylsulfanyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate

Systemtic Name: 4-azanyl-3-(4-methylphenyl)-2-methylsulfanyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate Openeye Name: 4-amino-2-methylsulfanyl-3-(p-tolyl)thiazol-3-ium-5-carboxamide; methyl sulfate CAS Name: 4-amino-3-(4-methylphenyl)-2-(methylthio)-5-thiazol-3-iumcarboxamide; methyl sulfate IUPAC Name: 4-amino-3-(4-methylphenyl)-2-methylsulfanyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate Traditional Name: 4-amino-2-(methylthio)-3-(p-tolyl)thiazol-3-ium-5-carboxamide; methyl sulfate Formula: C13H17N3O5S3 MolecularWeight: 391.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(SC(=C2N)C(=O)N)SC.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(SC(=C2N)C(=O)N)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H13N3OS2.CH4O4S/c1-7-3-5-8(6-4-7)15-10(13)9(11(14)16)18-12(15)17-2;1-5-6(2,3)4/h3-6H,1-2H3,(H3-,13,14,16);1H3,(H,2,3,4)