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

Systemtic Name: 4-[bis(methylsulfanyl)methylidene]-5-(4-bromophenyl)-2-phenyl-pyrazol-3-one Openeye Name: 4-[bis(methylsulfanyl)methylene]-5-(4-bromophenyl)-2-phenyl-pyrazol-3-one CAS Name: 4-[bis(methylthio)methylidene]-5-(4-bromophenyl)-2-phenyl-3-pyrazolone IUPAC Name: 4-[bis(methylsulfanyl)methylidene]-5-(4-bromophenyl)-2-phenylpyrazol-3-one Traditional Name: 4-[bis(methylthio)methylene]-5-(4-bromophenyl)-2-phenyl-2-pyrazolin-3-one Formula: C18H15BrN2OS2 MolecularWeight: 419.3585

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

CSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C18H15BrN2OS2/c1-23-18(24-2)15-16(12-8-10-13(19)11-9-12)20-21(17(15)22)14-6-4-3-5-7-14/h3-11H,1-2H3