3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[[4-(1-pyrazolyl)phenyl]methylthio]propanoic acid IUPAC Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-pyrazol-1-ylbenzyl)thio]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSCCC(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-13(17)6-9-18-10-11-2-4-12(5-3-11)15-8-1-7-14-15/h1-5,7-8H,6,9-10H2,(H,16,17)