2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole hydrochloride

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole hydrochloride Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole hydrochloride CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-benzimidazole hydrochloride IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole hydrochloride Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-benzimidazole hydrochloride Formula: C14H9ClF3N3O2S MolecularWeight: 375.75337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H8F3N3O2S.ClH/c15-14(16,17)8-5-6-12(11(7-8)20(21)22)23-13-18-9-3-1-2-4-10(9)19-13;/h1-7H,(H,18,19);1H