4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)benzonitrile CAS Name: 4-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile IUPAC Name: 4-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)benzonitrile Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazole-2-carbonyl)benzonitrile Formula: C15H8N2O4S MolecularWeight: 312.30002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H8N2O4S/c16-9-10-5-7-11(8-6-10)14(18)17-15(19)12-3-1-2-4-13(12)22(17,20)21/h1-8H