4-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-m-anisyl-4-(piazthiol-5-ylmethyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=NSN=C5C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=NSN=C5C=C4)C(=O)O

InChI

InChI=1S/C23H18N4O3S2/c1-30-16-5-2-4-15(10-16)13-27-22(23(28)29)17(21(24-27)20-6-3-9-31-20)11-14-7-8-18-19(12-14)26-32-25-18/h2-10,12H,11,13H2,1H3,(H,28,29)