[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C17H13F2N3O4S MolecularWeight: 393.364626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2N3O4S/c1-27-14-7-6-10(8-13(14)22(24)25)16(23)26-9-15-20-11-4-2-3-5-12(11)21(15)17(18)19/h2-8,17H,9H2,1H3