2-[5-(4-pentylsulfanylphenyl)-1H-pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[5-(4-pentylsulfanylphenyl)-1H-pyrazol-4-yl]propanoic acid Openeye Name: 2-[5-(4-pentylsulfanylphenyl)-1H-pyrazol-4-yl]propanoic acid CAS Name: 2-[5-[4-(pentylthio)phenyl]-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 2-[5-(4-pentylsulfanylphenyl)-1H-pyrazol-4-yl]propanoic acid Traditional Name: 2-[5-[4-(amylthio)phenyl]-1H-pyrazol-4-yl]propionic acid Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

Isomeric SMILES

CCCCCSC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

InChI

InChI=1S/C17H22N2O2S/c1-3-4-5-10-22-14-8-6-13(7-9-14)16-15(11-18-19-16)12(2)17(20)21/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)