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

Systemtic Name: 2-[3-[(4-ethoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanamide Openeye Name: 2-[3-[(4-ethoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetamide CAS Name: 2-[[3-[(4-ethoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetamide IUPAC Name: 2-[3-[(4-ethoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-ethoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetamide Formula: C15H17N5O6S MolecularWeight: 395.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(=O)N)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(=O)N)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O6S/c1-3-26-12-5-4-10(6-11(12)19(22)23)7-18-9(2)17-14(20(24)25)15(18)27-8-13(16)21/h4-6H,3,7-8H2,1-2H3,(H2,16,21)