1-[bis(fluoranyl)methyl]-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole

Systemtic Name: 1-[bis(fluoranyl)methyl]-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole Openeye Name: 1-(difluoromethyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole CAS Name: 1-(difluoromethyl)-2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]benzimidazole IUPAC Name: 1-(difluoromethyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanylbenzimidazole Traditional Name: 1-(difluoromethyl)-2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]benzimidazole Formula: C18H16F2N4O4S2 MolecularWeight: 454.470846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C18H16F2N4O4S2/c19-17(20)23-14-6-2-1-5-13(14)21-18(23)29-15-8-7-12(24(25)26)11-16(15)30(27,28)22-9-3-4-10-22/h1-2,5-8,11,17H,3-4,9-10H2