3-methoxycarbonyl-5-methyl-2-methylsulfanyl-pyridazino[1,6-a]benzimidazol-10-ium-4-olate

Systemtic Name: 3-methoxycarbonyl-5-methyl-2-methylsulfanyl-pyridazino[1,6-a]benzimidazol-10-ium-4-olate Openeye Name: 3-methoxycarbonyl-5-methyl-2-methylsulfanyl-pyridazino[1,6-a]benzimidazol-10-ium-4-olate CAS Name: 3-methoxycarbonyl-5-methyl-2-(methylthio)-4-pyridazino[1,6-a]benzimidazol-10-iumolate IUPAC Name: 3-methoxycarbonyl-5-methyl-2-methylsulfanylpyridazino[1,6-a]benzimidazol-10-ium-4-olate Traditional Name: 3-carbomethoxy-5-methyl-2-(methylthio)pyridazino[1,6-a]benzimidazol-10-ium-4-olate Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+]3=C1C(=C(C(=N3)SC)C(=O)OC)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+]3=C1C(=C(C(=N3)SC)C(=O)OC)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-16-8-6-4-5-7-9(8)17-13(16)11(18)10(14(19)20-2)12(15-17)21-3/h4-7H,1-3H3