(4-nitrophenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetic acid (4-nitrobenzyl) ester Formula: C18H14FN3O4S MolecularWeight: 387.384863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)N2C=CN=C2SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)N2C=CN=C2SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O4S/c19-14-2-1-3-16(10-14)21-9-8-20-18(21)27-12-17(23)26-11-13-4-6-15(7-5-13)22(24)25/h1-10H,11-12H2