6-nitro-2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole

Systemtic Name: 6-nitro-2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole Openeye Name: 6-nitro-2-(3-pyridylmethylsulfanyl)-1H-benzimidazole CAS Name: 6-nitro-2-(3-pyridinylmethylthio)-1H-benzimidazole IUPAC Name: 6-nitro-2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole Traditional Name: 6-nitro-2-(3-pyridylmethylthio)-1H-benzimidazole Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c18-17(19)10-3-4-11-12(6-10)16-13(15-11)20-8-9-2-1-5-14-7-9/h1-7H,8H2,(H,15,16)