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

Systemtic Name: 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-nitro-imidazol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-[2-[4-(chloromethyl)thiazol-2-yl]-5-nitro-imidazol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[2-[4-(chloromethyl)-2-thiazolyl]-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-nitroimidazol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-[4-(chloromethyl)thiazol-2-yl]-5-nitro-imidazol-1-yl]ethyl ester Formula: C16H15ClN4O5S2 MolecularWeight: 442.8971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)N2C(=CN=C2C3=NC(=CS3)CCl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)N2C(=CN=C2C3=NC(=CS3)CCl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O5S2/c1-10-3-5-13(6-4-10)28(24,25)26-11(2)20-14(21(22)23)8-18-15(20)16-19-12(7-17)9-27-16/h3-6,8-9,11H,7H2,1-2H3