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

Systemtic Name: 3-[[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 3-[[1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 3-[[1-[4-(4-methoxyphenyl)-2-thiazolyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 3-[[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 3-[[5-keto-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4S/c1-12-18(24-23-15-5-3-4-14(10-15)20(28)29)19(27)26(25-12)21-22-17(11-31-21)13-6-8-16(30-2)9-7-13/h3-11,18H,1-2H3,(H,28,29)