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

Systemtic Name: 2-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-[4-(4-bromophenyl)thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-[4-(4-bromophenyl)-2-thiazolyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-[4-(4-bromophenyl)thiazol-2-yl]-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C20H14BrN5O3S MolecularWeight: 484.32586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN5O3S/c1-11-17(24-23-15-5-3-2-4-14(15)19(28)29)18(27)26(25-11)20-22-16(10-30-20)12-6-8-13(21)9-7-12/h2-10,17H,1H3,(H,28,29)