(2-phenylsulfanylpyrazol-3-yl) benzoate

Systemtic Name: (2-phenylsulfanylpyrazol-3-yl) benzoate Openeye Name: (2-phenylsulfanylpyrazol-3-yl) benzoate CAS Name: benzoic acid [2-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-phenylsulfanylpyrazol-3-yl) benzoate Traditional Name: benzoic acid [2-(phenylthio)pyrazol-3-yl] ester Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=NN2SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=NN2SC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O2S/c19-16(13-7-3-1-4-8-13)20-15-11-12-17-18(15)21-14-9-5-2-6-10-14/h1-12H