methyl 5-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylate

Systemtic Name: methyl 5-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylate Openeye Name: methyl 5-methyl-2-methylsulfanyl-4-oxo-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylate CAS Name: 5-methyl-2-(methylthio)-4-oxo-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-methylsulfanyl-4-oxo-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylate Traditional Name: 4-keto-5-methyl-2-(methylthio)-1H-pyridazino[1,6-a]benzimidazol-5-ium-3-carboxylic acid methyl ester Formula: C14H14N3O3S+ MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=O)C(=C(NN2C3=CC=CC=C31)SC)C(=O)OC

Isomeric SMILES

C[N+]1=C2C(=O)C(=C(NN2C3=CC=CC=C31)SC)C(=O)OC

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/p+1