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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxopentanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-valeronitrile Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2OS/c1-2-10(15)8(7-13)12-14-9-5-3-4-6-11(9)16-12/h3-6,8H,2H2,1H3