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

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetic acid CAS Name: 2-[[4-(1-pyrazolyl)phenyl]methylthio]acetic acid IUPAC Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-pyrazol-1-ylbenzyl)thio]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S/c15-12(16)9-17-8-10-2-4-11(5-3-10)14-7-1-6-13-14/h1-7H,8-9H2,(H,15,16)