6-nitro-2-(pyrimidin-2-ylsulfanylmethyl)-1H-benzimidazole

Systemtic Name: 6-nitro-2-(pyrimidin-2-ylsulfanylmethyl)-1H-benzimidazole Openeye Name: 6-nitro-2-(pyrimidin-2-ylsulfanylmethyl)-1H-benzimidazole CAS Name: 6-nitro-2-[(2-pyrimidinylthio)methyl]-1H-benzimidazole IUPAC Name: 6-nitro-2-(pyrimidin-2-ylsulfanylmethyl)-1H-benzimidazole Traditional Name: 6-nitro-2-[(2-pyrimidylthio)methyl]-1H-benzimidazole Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c18-17(19)8-2-3-9-10(6-8)16-11(15-9)7-20-12-13-4-1-5-14-12/h1-6H,7H2,(H,15,16)