2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[4-(1-pyrazolyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-pyrazol-1-ylbenzyl)thio]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CC(C(=O)O)SCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C13H14N2O2S/c1-10(13(16)17)18-9-11-3-5-12(6-4-11)15-8-2-7-14-15/h2-8,10H,9H2,1H3,(H,16,17)