[6-azanyl-5-(1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyridazin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [6-azanyl-5-(1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyridazin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [6-amino-5-(1H-benzimidazol-2-yl)-1-(o-tolyl)pyridazin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [6-amino-5-(1H-benzimidazol-2-yl)-1-(2-methylphenyl)-3-pyridazin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [6-amino-5-(1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyridazin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [6-amino-5-(1H-benzimidazol-2-yl)-1-(o-tolyl)pyridazin-1-ium-3-yl]-(2-thienyl)methanone Formula: C23H18N5OS+ MolecularWeight: 412.48692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=C(C(=CC(=N2)C(=O)C3=CC=CS3)C4=NC5=CC=CC=C5N4)N

Isomeric SMILES

CC1=CC=CC=C1[N+]2=C(C(=CC(=N2)C(=O)C3=CC=CS3)C4=NC5=CC=CC=C5N4)N

InChI

InChI=1S/C23H17N5OS/c1-14-7-2-5-10-19(14)28-22(24)15(23-25-16-8-3-4-9-17(16)26-23)13-18(27-28)21(29)20-11-6-12-30-20/h2-13,24H,1H3,(H,25,26,27)/p+1