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

Systemtic Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetonitrile IUPAC Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-fluorobenzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetonitrile Formula: C13H11FN4O2S MolecularWeight: 306.315443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN4O2S/c1-9-16-12(18(19)20)13(21-7-6-15)17(9)8-10-2-4-11(14)5-3-10/h2-5H,7-8H2,1H3