3-(benzotriazol-1-yl)-1-(4-methylphenyl)-3H-pyridazin-1-ium-4-one

Systemtic Name: 3-(benzotriazol-1-yl)-1-(4-methylphenyl)-3H-pyridazin-1-ium-4-one Openeye Name: 3-(benzotriazol-1-yl)-1-(p-tolyl)-3H-pyridazin-1-ium-4-one CAS Name: 3-(1-benzotriazolyl)-1-(4-methylphenyl)-3H-pyridazin-1-ium-4-one IUPAC Name: 3-(benzotriazol-1-yl)-1-(4-methylphenyl)-3H-pyridazin-1-ium-4-one Traditional Name: 3-(benzotriazol-1-yl)-1-(p-tolyl)-3H-pyridazin-1-ium-4-one Formula: C17H14N5O+ MolecularWeight: 304.32596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NC(C(=O)C=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NC(C(=O)C=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14N5O/c1-12-6-8-13(9-7-12)21-11-10-16(23)17(19-21)22-15-5-3-2-4-14(15)18-20-22/h2-11,17H,1H3/q+1