4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(2,4-dimethoxyphenyl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(2,4-dimethoxyphenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(2,4-dimethoxyphenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(2,4-dimethoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-butyl-2-[(2,4-dimethoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-2-(2,4-dimethoxybenzyl)-4-(piazthiol-5-ylmethyl)pyrazole-3-carboxylic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC3=NSN=C3C=C2)C(=O)O)CC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC3=NSN=C3C=C2)C(=O)O)CC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C24H26N4O4S/c1-4-5-6-19-18(11-15-7-10-20-21(12-15)27-33-26-20)23(24(29)30)28(25-19)14-16-8-9-17(31-2)13-22(16)32-3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,29,30)