2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanamide

Systemtic Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanamide Openeye Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetamide CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetamide IUPAC Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-fluorobenzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetamide Formula: C13H13FN4O3S MolecularWeight: 324.330723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=C(C=C2)F)SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=C(C=C2)F)SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13FN4O3S/c1-8-16-12(18(20)21)13(22-7-11(15)19)17(8)6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H2,15,19)