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

Systemtic Name: 2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-quinolin-2-yl-ethanenitrile Openeye Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(2-quinolyl)acetonitrile CAS Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(2-quinolinyl)acetonitrile IUPAC Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-quinolin-2-ylacetonitrile Traditional Name: 2-(1,1-diketo-1,2-benzothiazol-3-yl)-2-(2-quinolyl)acetonitrile Formula: C18H11N3O2S MolecularWeight: 333.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(C#N)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(C#N)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H11N3O2S/c19-11-14(16-10-9-12-5-1-3-7-15(12)20-16)18-13-6-2-4-8-17(13)24(22,23)21-18/h1-10,14H