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

Systemtic Name: 4-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzenecarbonitrile Openeye Name: 4-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile CAS Name: 4-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile IUPAC Name: 4-(4,7-dimethyl-4-phenyl-3H-1,2,4-benzotriazine-2,4-diium-2-yl)benzonitrile Traditional Name: 4-(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=C(C=C3)C#N)(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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