4-(benzotriazol-1-yl)-5-(4-bromophenyl)sulfanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-(4-bromophenyl)sulfanyl-benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-(4-bromophenyl)sulfanyl-phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-[(4-bromophenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-(4-bromophenyl)sulfanylbenzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-[(4-bromophenyl)thio]phthalonitrile Formula: C20H10BrN5S MolecularWeight: 432.2959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H10BrN5S/c21-15-5-7-16(8-6-15)27-20-10-14(12-23)13(11-22)9-19(20)26-18-4-2-1-3-17(18)24-25-26/h1-10H