2-(5-nitro-1,2-benzothiazol-3-yl)ethanenitrile

Systemtic Name: 2-(5-nitro-1,2-benzothiazol-3-yl)ethanenitrile Openeye Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetonitrile Formula: C9H5N3O2S MolecularWeight: 219.2199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)CC#N

InChI

InChI=1S/C9H5N3O2S/c10-4-3-8-7-5-6(12(13)14)1-2-9(7)15-11-8/h1-2,5H,3H2