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

Systemtic Name: 2-[2-methyl-5-nitro-3-[(3-nitro-4-oxidanyl-phenyl)methyl]imidazol-4-yl]sulfanylethanamide Openeye Name: 2-[3-[(4-hydroxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetamide CAS Name: 2-[[3-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetamide IUPAC Name: 2-[3-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-hydroxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetamide Formula: C13H13N5O6S MolecularWeight: 367.33722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O6S/c1-7-15-12(18(23)24)13(25-6-11(14)20)16(7)5-8-2-3-10(19)9(4-8)17(21)22/h2-4,19H,5-6H2,1H3,(H2,14,20)