3-[2-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[2-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[2-[4-hydroxy-1-(o-tolyl)-4-oxo-butoxy]-4-(3-thienylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[2-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(3-thiophenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[2-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[2-[4-hydroxy-4-keto-1-(o-tolyl)butoxy]-4-(3-thenyloxy)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C(=O)O

InChI

InChI=1S/C26H24N2O6S/c1-16-4-2-3-5-19(16)23(8-9-25(29)30)34-24-12-18(33-14-17-10-11-35-15-17)6-7-20(24)21-13-22(26(31)32)28-27-21/h2-7,10-13,15,23H,8-9,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)