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

Systemtic Name: 4-azanyl-3-(4-methylphenyl)-2-methylsulfanyl-1,3-thiazol-3-ium-5-carboxamide Openeye Name: 4-amino-2-methylsulfanyl-3-(p-tolyl)thiazol-3-ium-5-carboxamide CAS Name: 4-amino-3-(4-methylphenyl)-2-(methylthio)-5-thiazol-3-iumcarboxamide IUPAC Name: 4-amino-3-(4-methylphenyl)-2-methylsulfanyl-1,3-thiazol-3-ium-5-carboxamide Traditional Name: 4-amino-2-(methylthio)-3-(p-tolyl)thiazol-3-ium-5-carboxamide Formula: C12H14N3OS2+ MolecularWeight: 280.38906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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