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

Systemtic Name: 4-azanyl-5-methyl-2-methylsulfanyl-pyridazino[1,6-a]benzimidazol-10-ium-3-carbonitrile Openeye Name: 4-amino-5-methyl-2-methylsulfanyl-pyridazino[1,6-a]benzimidazol-10-ium-3-carbonitrile CAS Name: 4-amino-5-methyl-2-(methylthio)-3-pyridazino[1,6-a]benzimidazol-10-iumcarbonitrile IUPAC Name: 4-amino-5-methyl-2-methylsulfanylpyridazino[1,6-a]benzimidazol-10-ium-3-carbonitrile Traditional Name: 4-amino-5-methyl-2-(methylthio)pyridazino[1,6-a]benzimidazol-10-ium-3-carbonitrile Formula: C13H12N5S+ MolecularWeight: 270.33288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+]3=C1C(=C(C(=N3)SC)C#N)N

Isomeric SMILES

CN1C2=CC=CC=C2[N+]3=C1C(=C(C(=N3)SC)C#N)N

InChI

InChI=1S/C13H12N5S/c1-17-9-5-3-4-6-10(9)18-13(17)11(15)8(7-14)12(16-18)19-2/h3-6H,1-2H3,(H2,15,16)/q+1