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

Systemtic Name: 4-(benzotriazol-1-yl)-5-(phenylmethylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-benzylsulfanyl-phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-(phenylmethylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-benzylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-(benzylthio)phthalonitrile Formula: C21H13N5S MolecularWeight: 367.42642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H13N5S/c22-12-16-10-20(26-19-9-5-4-8-18(19)24-25-26)21(11-17(16)13-23)27-14-15-6-2-1-3-7-15/h1-11H,14H2