2-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-methyl-4-pyrazolyl)methylthio]benzoate IUPAC Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-methylpyrazol-4-yl)methylthio]benzoate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CSC2=CC=CC=C2C(=O)[O-]

InChI

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