6-nitro-2-pyridin-2-ylsulfanyl-1,3-benzothiazole

Systemtic Name: 6-nitro-2-pyridin-2-ylsulfanyl-1,3-benzothiazole Openeye Name: 6-nitro-2-(2-pyridylsulfanyl)-1,3-benzothiazole CAS Name: 6-nitro-2-(2-pyridinylthio)-1,3-benzothiazole IUPAC Name: 6-nitro-2-pyridin-2-ylsulfanyl-1,3-benzothiazole Traditional Name: 6-nitro-2-(2-pyridylthio)-1,3-benzothiazole Formula: C12H7N3O2S2 MolecularWeight: 289.33288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O2S2/c16-15(17)8-4-5-9-10(7-8)18-12(14-9)19-11-3-1-2-6-13-11/h1-7H