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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)acetyl cyanide CAS Name: 3-(1,3-benzothiazol-2-yl)-2-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)acetyl cyanide Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-keto-propionitrile Formula: C10H6N2OS MolecularWeight: 202.23244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6N2OS/c11-6-7(13)5-10-12-8-3-1-2-4-9(8)14-10/h1-4H,5H2