6-nitro-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 6-nitro-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 6-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-1H-benzimidazole CAS Name: 6-nitro-2-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1H-benzimidazole IUPAC Name: 6-nitro-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 6-nitro-2-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-1H-benzimidazole Formula: C14H9F3N4O2S MolecularWeight: 354.30707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C14H9F3N4O2S/c15-14(16,17)8-1-4-13(18-6-8)24-7-12-19-10-3-2-9(21(22)23)5-11(10)20-12/h1-6H,7H2,(H,19,20)