3-hexadecylsulfanyl-2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one

Systemtic Name: 3-hexadecylsulfanyl-2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one Openeye Name: 3-hexadecylsulfanyl-2-(p-tolylsulfonyl)-1H-pyrazol-5-one CAS Name: 3-(hexadecylthio)-2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one IUPAC Name: 3-hexadecylsulfanyl-2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one Traditional Name: 5-(cetylthio)-1-tosyl-3-pyrazolin-3-one Formula: C26H42N2O3S2 MolecularWeight: 494.75328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC(=O)NN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC(=O)NN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H42N2O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-26-22-25(29)27-28(26)33(30,31)24-19-17-23(2)18-20-24/h17-20,22H,3-16,21H2,1-2H3,(H,27,29)