2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanenitrile

Systemtic Name: 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanenitrile Openeye Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetonitrile CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetonitrile Formula: C9H5ClN2OS MolecularWeight: 224.6668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC#N

InChI

InChI=1S/C9H5ClN2OS/c10-6-2-1-3-7-8(6)12(5-4-11)9(13)14-7/h1-3H,5H2