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

Systemtic Name: 3-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile CAS Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile IUPAC Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile Traditional Name: 3-[(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=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=CC(=C3)C#N

InChI

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