4-(benzotriazol-1-yl)-5-(4-chloranyl-3,5-dimethyl-phenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-(4-chloranyl-3,5-dimethyl-phenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3,5-dimethyl-phenoxy)phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-(4-chloro-3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3,5-dimethyl-phenoxy)phthalonitrile Formula: C22H14ClN5O MolecularWeight: 399.83246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H14ClN5O/c1-13-7-17(8-14(2)22(13)23)29-21-10-16(12-25)15(11-24)9-20(21)28-19-6-4-3-5-18(19)26-27-28/h3-10H,1-2H3