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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetonitrile Formula: C9H6N2O3S MolecularWeight: 222.22054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O3S/c10-5-6-11-9(12)7-3-1-2-4-8(7)15(11,13)14/h1-4H,6H2