(4Z)-5-methyl-2-phenyl-4-[[2-(trioxidanylsulfanyl)phenyl]methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-phenyl-4-[[2-(trioxidanylsulfanyl)phenyl]methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-phenyl-4-[[2-(trioxidanylsulfanyl)phenyl]methylene]pyrazol-3-one CAS Name: 2-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzenesulfenic acid hydroperoxy ester IUPAC Name: (4Z)-5-methyl-2-phenyl-4-[[2-(trioxidanylsulfanyl)phenyl]methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-phenyl-4-[2-(trioxidanylthio)benzylidene]-2-pyrazolin-3-one Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2SOOO)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2SOOO)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O4S/c1-12-15(11-13-7-5-6-10-16(13)24-23-22-21)17(20)19(18-12)14-8-3-2-4-9-14/h2-11,21H,1H3/b15-11-