2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(5-nitro-2-pyridinyl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(5-nitro-2-pyridyl)thio]methyl]-1H-benzimidazole Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

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