[2-(4-ethanoyl-1,3-thiazol-2-yl)-5-nitro-imidazol-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-ethanoyl-1,3-thiazol-2-yl)-5-nitro-imidazol-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-acetylthiazol-2-yl)-5-nitro-imidazol-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-acetyl-2-thiazolyl)-5-nitro-1-imidazolyl] ester IUPAC Name: [2-(4-acetyl-1,3-thiazol-2-yl)-5-nitroimidazol-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-acetylthiazol-2-yl)-5-nitro-imidazol-1-yl] ester Formula: C15H12N4O6S2 MolecularWeight: 408.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CN=C2C3=NC(=CS3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CN=C2C3=NC(=CS3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O6S2/c1-9-3-5-11(6-4-9)27(23,24)25-18-13(19(21)22)7-16-14(18)15-17-12(8-26-15)10(2)20/h3-8H,1-2H3