3-(1,3-benzothiazol-2-yl)-2-methyl-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-3-oxidanylidene-propanenitrile Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-3-oxo-propanenitrile CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-3-oxopropanenitrile IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-3-oxopropanenitrile Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-keto-2-methyl-propionitrile Formula: C11H8N2OS MolecularWeight: 216.25902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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