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

Systemtic Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-cyclohexyl-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-cyclohexyl-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-cyclohexyl-2-[(3-methoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-cyclohexyl-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-cyclohexyl-2-m-anisyl-4-(piazthiol-5-ylmethyl)pyrazole-3-carboxylic acid Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3CCCCC3)CC4=CC5=NSN=C5C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3CCCCC3)CC4=CC5=NSN=C5C=C4)C(=O)O

InChI

InChI=1S/C25H26N4O3S/c1-32-19-9-5-6-17(12-19)15-29-24(25(30)31)20(23(26-29)18-7-3-2-4-8-18)13-16-10-11-21-22(14-16)28-33-27-21/h5-6,9-12,14,18H,2-4,7-8,13,15H2,1H3,(H,30,31)