1-[phenyl-[phenyl(pyrazol-1-yl)methyl]sulfanyloxysulfanyl-methyl]pyrazole

Systemtic Name: 1-[phenyl-[phenyl(pyrazol-1-yl)methyl]sulfanyloxysulfanyl-methyl]pyrazole Openeye Name: 1-[phenyl-[phenyl(pyrazol-1-yl)methyl]sulfanyloxysulfanyl-methyl]pyrazole CAS Name: phenyl(1-pyrazolyl)methanesulfenic acid [[phenyl(1-pyrazolyl)methyl]thio] ester IUPAC Name: 1-[phenyl-[phenyl(pyrazol-1-yl)methyl]sulfanyloxysulfanylmethyl]pyrazole Traditional Name: 1-[phenyl-[[[phenyl(pyrazol-1-yl)methyl]thio]oxythio]methyl]pyrazole Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(N2C=CC=N2)SOSC(C3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(N2C=CC=N2)SOSC(C3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C20H18N4OS2/c1-3-9-17(10-4-1)19(23-15-7-13-21-23)26-25-27-20(24-16-8-14-22-24)18-11-5-2-6-12-18/h1-16,19-20H