2-[[5-tert-butyl-2-(2-methylsulfanylphenyl)pyrazol-3-yl]amino]-5-methoxy-benzoic acid

Systemtic Name: 2-[[5-tert-butyl-2-(2-methylsulfanylphenyl)pyrazol-3-yl]amino]-5-methoxy-benzoic acid Openeye Name: 2-[[5-tert-butyl-2-(2-methylsulfanylphenyl)pyrazol-3-yl]amino]-5-methoxy-benzoic acid CAS Name: 2-[[5-tert-butyl-2-[2-(methylthio)phenyl]-3-pyrazolyl]amino]-5-methoxybenzoic acid IUPAC Name: 2-[[5-tert-butyl-2-(2-methylsulfanylphenyl)pyrazol-3-yl]amino]-5-methoxybenzoic acid Traditional Name: 2-[[5-tert-butyl-2-[2-(methylthio)phenyl]pyrazol-3-yl]amino]-5-methoxy-benzoic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC2=C(C=C(C=C2)OC)C(=O)O)C3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC2=C(C=C(C=C2)OC)C(=O)O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)19-13-20(25(24-19)17-8-6-7-9-18(17)29-5)23-16-11-10-14(28-4)12-15(16)21(26)27/h6-13,23H,1-5H3,(H,26,27)