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

Systemtic Name: 2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile CAS Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile IUPAC Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile Traditional Name: 2-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzonitrile Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N

InChI

InChI=1S/C15H10N2O3S/c16-9-11-5-1-2-6-12(11)10-17-15(18)13-7-3-4-8-14(13)21(17,19)20/h1-8H,10H2