(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl) benzenesulfinate

Systemtic Name: (5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl) benzenesulfinate Openeye Name: (5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl) benzenesulfinate CAS Name: benzenesulfinic acid [5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl] ester IUPAC Name: (5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl) benzenesulfinate Traditional Name: benzenesulfinic acid [5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl] ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)OS(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)OS(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2S2/c1-13-16(21-23(20)15-11-7-4-8-12-15)17(22-2)18-19(13)14-9-5-3-6-10-14/h3-12H,1-2H3