4-[bis(methylsulfanyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[bis(methylsulfanyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[bis(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[bis(methylthio)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[bis(methylsulfanyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[bis(methylthio)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C13H14N2OS2 MolecularWeight: 278.39306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS2/c1-9-11(13(17-2)18-3)12(16)15(14-9)10-7-5-4-6-8-10/h4-8H,1-3H3