2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-butyronitrile Formula: C11H8N2OS MolecularWeight: 216.25902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)C(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H8N2OS/c1-7(14)8(6-12)11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,1H3