2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-pyridin-4-yl-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-pyridin-4-yl-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-pyridyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-pyridin-4-ylpropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-pyridin-4-ylpropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-pyridyl)propionitrile Formula: C15H9N3OS MolecularWeight: 279.31646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N3OS/c16-9-11(14(19)10-5-7-17-8-6-10)15-18-12-3-1-2-4-13(12)20-15/h1-8,11H