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4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=NN(C(=C1CC2=CC3=NSN=C3C=C2)C(=O)O)CC4=CC(=CC=C4)OC
Isomeric SMILES
CCCCC1=NN(C(=C1CC2=CC3=NSN=C3C=C2)C(=O)O)CC4=CC(=CC=C4)OC
InChI
InChI=1S/C23H24N4O3S/c1-3-4-8-19-18(12-15-9-10-20-21(13-15)26-31-25-20)22(23(28)29)27(24-19)14-16-6-5-7-17(11-16)30-2/h5-7,9-11,13H,3-4,8,12,14H2,1-2H3,(H,28,29)
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