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

Systemtic Name: 4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-[4-(p-tolyl)phenoxy]phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-[4-(p-tolyl)phenoxy]phthalonitrile Formula: C27H17N5O MolecularWeight: 427.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H17N5O/c1-18-6-8-19(9-7-18)20-10-12-23(13-11-20)33-27-15-22(17-29)21(16-28)14-26(27)32-25-5-3-2-4-24(25)30-31-32/h2-15H,1H3