2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]benzenecarbonitrile

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]benzenecarbonitrile Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzonitrile CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzonitrile IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzonitrile Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)benzonitrile Formula: C14H8N2O3S MolecularWeight: 284.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C14H8N2O3S/c15-9-10-5-1-3-7-12(10)16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H