4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)