2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzenecarbonitrile

Systemtic Name: 2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzenecarbonitrile Openeye Name: 2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile CAS Name: 2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile IUPAC Name: 2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile Traditional Name: 2-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile Formula: C22H20N4+2 MolecularWeight: 340.421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C[N+](=N2)C3=CC=CC=C3C#N)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C[N+](=N2)C3=CC=CC=C3C#N)(C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4/c1-17-12-13-22-20(14-17)24-25(21-11-7-6-8-18(21)15-23)16-26(22,2)19-9-4-3-5-10-19/h3-14H,16H2,1-2H3/q+2