2-[2-(4-bromanyl-2-nitro-phenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-(4-bromanyl-2-nitro-phenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-(4-bromo-2-nitro-phenyl)sulfanyl-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(4-bromo-2-nitrophenyl)thio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-(4-bromo-2-nitrophenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(4-bromo-2-nitro-phenyl)thio]-4-methyl-thiazol-5-yl]acetate Formula: C12H8BrN2O4S2- MolecularWeight: 388.23692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H9BrN2O4S2/c1-6-10(5-11(16)17)21-12(14-6)20-9-3-2-7(13)4-8(9)15(18)19/h2-4H,5H2,1H3,(H,16,17)/p-1