4-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(1-methyl-4-pyrazolyl)methylthio]benzoic acid IUPAC Name: 4-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(1-methylpyrazol-4-yl)methylthio]benzoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-14-7-9(6-13-14)8-17-11-4-2-10(3-5-11)12(15)16/h2-7H,8H2,1H3,(H,15,16)