(4Z)-2-azanyl-3-methyl-4-[(4-methylsulfanylphenyl)methylidene]-1H-imidazol-3-ium-5-one

Systemtic Name: (4Z)-2-azanyl-3-methyl-4-[(4-methylsulfanylphenyl)methylidene]-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-3-methyl-4-[(4-methylsulfanylphenyl)methylene]-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-3-methyl-4-[[4-(methylthio)phenyl]methylidene]-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-3-methyl-4-[(4-methylsulfanylphenyl)methylidene]-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-1-methyl-5-[4-(methylthio)benzylidene]-2-imidazolin-1-ium-4-one Formula: C12H14N3OS+ MolecularWeight: 248.32406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC=C(C=C2)SC)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C/C2=CC=C(C=C2)SC)N

InChI

InChI=1S/C12H13N3OS/c1-15-10(11(16)14-12(15)13)7-8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H2,13,14,16)/p+1/b10-7-