2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(1-phenyl-4-pyrazolyl)methylthio]acetate IUPAC Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(1-phenylpyrazol-4-yl)methylthio]acetate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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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)/p-1