4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[1-[4-(4-bromophenyl)thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-[[1-[4-(4-bromophenyl)-2-thiazolyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[1-[4-(4-bromophenyl)thiazol-2-yl]-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylic acid Formula: C19H14BrN5O4S2 MolecularWeight: 520.37956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN5O4S2/c1-11-17(23-22-14-6-8-15(9-7-14)31(27,28)29)18(26)25(24-11)19-21-16(10-30-19)12-2-4-13(20)5-3-12/h2-10,17H,1H3,(H,27,28,29)