4-(1,3-benzothiazol-2-ylsulfanyl)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-(benzotriazol-1-yl)phthalonitrile CAS Name: 4-(1,3-benzothiazol-2-ylthio)-5-(1-benzotriazolyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-5-(benzotriazol-1-yl)phthalonitrile Formula: C21H10N6S2 MolecularWeight: 410.4743

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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=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H10N6S2/c22-11-13-9-18(27-17-7-3-1-5-15(17)25-26-27)20(10-14(13)12-23)29-21-24-16-6-2-4-8-19(16)28-21/h1-10H