methyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C17H12FN3O4S MolecularWeight: 373.358283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=C(N2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=C(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3O4S/c1-25-16(22)13-8-12(21(23)24)6-7-15(13)26-17-19-9-14(20-17)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,19,20)