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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)[N+](=O)[O-]

InChI

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