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

Systemtic Name: 4-(benzotriazol-1-yl)-5-(4-chloranyl-3-methyl-phenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3-methyl-phenoxy)phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-(4-chloro-3-methylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3-methylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-(4-chloro-3-methyl-phenoxy)phthalonitrile Formula: C21H12ClN5O MolecularWeight: 385.80588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C21H12ClN5O/c1-13-8-16(6-7-17(13)22)28-21-10-15(12-24)14(11-23)9-20(21)27-19-5-3-2-4-18(19)25-26-27/h2-10H,1H3