2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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