N-[1-(2-chloranyl-4,6-dimethyl-phenyl)-4-dodecylsulfanyl-5-oxidanylidene-4H-pyrazol-3-yl]pentadecanamide

Systemtic Name: N-[1-(2-chloranyl-4,6-dimethyl-phenyl)-4-dodecylsulfanyl-5-oxidanylidene-4H-pyrazol-3-yl]pentadecanamide Openeye Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-4-dodecylsulfanyl-5-oxo-4H-pyrazol-3-yl]pentadecanamide CAS Name: N-[1-(2-chloro-4,6-dimethylphenyl)-4-(dodecylthio)-5-oxo-4H-pyrazol-3-yl]pentadecanamide IUPAC Name: N-[1-(2-chloro-4,6-dimethylphenyl)-4-dodecylsulfanyl-5-oxo-4H-pyrazol-3-yl]pentadecanamide Traditional Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-keto-4-(laurylthio)-2-pyrazolin-3-yl]pentadecanamide Formula: C38H64ClN3O2S MolecularWeight: 662.45166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1SCCCCCCCCCCCC)C2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1SCCCCCCCCCCCC)C2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C38H64ClN3O2S/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-34(43)40-37-36(45-28-26-24-22-20-16-14-12-10-8-6-2)38(44)42(41-37)35-32(4)29-31(3)30-33(35)39/h29-30,36H,5-28H2,1-4H3,(H,40,41,43)