5-[[2-(4-dodecylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]carbothioylsulfanyl]pentyl 2-(4-dodecylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate

Systemtic Name: 5-[[2-(4-dodecylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]carbothioylsulfanyl]pentyl 2-(4-dodecylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate Openeye Name: 5-[2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbothioyl]sulfanylpentyl 2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate CAS Name: 2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbodithioic acid 5-[[[2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-sulfanylidenemethyl]thio]pentyl ester IUPAC Name: 5-[2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbothioyl]sulfanylpentyl 2-(4-dodecylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-1-(4-laurylphenyl)-3-methyl-3-pyrazoline-4-carbodithioic acid 5-[[5-keto-1-(4-laurylphenyl)-3-methyl-3-pyrazoline-4-carbothioyl]thio]pentyl ester Formula: C51H76N4O2S4 MolecularWeight: 905.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(=S)SCCCCCSC(=S)C3=C(NN(C3=O)C4=CC=C(C=C4)CCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(=S)SCCCCCSC(=S)C3=C(NN(C3=O)C4=CC=C(C=C4)CCCCCCCCCCCC)C

InChI

InChI=1S/C51H76N4O2S4/c1-5-7-9-11-13-15-17-19-21-24-28-42-30-34-44(35-31-42)54-48(56)46(40(3)52-54)50(58)60-38-26-23-27-39-61-51(59)47-41(4)53-55(49(47)57)45-36-32-43(33-37-45)29-25-22-20-18-16-14-12-10-8-6-2/h30-37,52-53H,5-29,38-39H2,1-4H3