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

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanamide Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylacetamide CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]acetamide IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetamide Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]acetamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-9-15-12(17(19)20)13(21-8-11(14)18)16(9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,18)