3-[(4-ethoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiol

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiol Openeye Name: 3-[(4-ethoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiol CAS Name: 3-[(4-ethoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolethiol IUPAC Name: 3-[(4-ethoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol Traditional Name: 3-(4-ethoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazole-4-thiol Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=NC(=C2S)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=NC(=C2S)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c1-3-22-11-5-4-9(6-10(11)16(18)19)7-15-8(2)14-12(13(15)23)17(20)21/h4-6,23H,3,7H2,1-2H3