4-(benzotriazol-1-yl)-5-[2-methyl-4-(3-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-[2-methyl-4-(3-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-[2-methyl-4-(m-tolyl)phenoxy]phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-[2-methyl-4-(3-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-[2-methyl-4-(3-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-[2-methyl-4-(m-tolyl)phenoxy]phthalonitrile Formula: C28H19N5O MolecularWeight: 441.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C28H19N5O/c1-18-6-5-7-20(12-18)21-10-11-27(19(2)13-21)34-28-15-23(17-30)22(16-29)14-26(28)33-25-9-4-3-8-24(25)31-32-33/h3-15H,1-2H3