2-(2-chloranyl-4,6-dimethyl-phenyl)-5-[(2-chloranyl-5-octadecylsulfanyl-phenyl)amino]-4-methyl-4H-pyrazol-3-one

Systemtic Name: 2-(2-chloranyl-4,6-dimethyl-phenyl)-5-[(2-chloranyl-5-octadecylsulfanyl-phenyl)amino]-4-methyl-4H-pyrazol-3-one Openeye Name: 2-(2-chloro-4,6-dimethyl-phenyl)-5-(2-chloro-5-octadecylsulfanyl-anilino)-4-methyl-4H-pyrazol-3-one CAS Name: 2-(2-chloro-4,6-dimethylphenyl)-5-[2-chloro-5-(octadecylthio)anilino]-4-methyl-4H-pyrazol-3-one IUPAC Name: 2-(2-chloro-4,6-dimethylphenyl)-5-(2-chloro-5-octadecylsulfanylanilino)-4-methyl-4H-pyrazol-3-one Traditional Name: 2-(2-chloro-4,6-dimethyl-phenyl)-5-[2-chloro-5-(stearylthio)anilino]-4-methyl-2-pyrazolin-3-one Formula: C36H53Cl2N3OS MolecularWeight: 646.79652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C36H53Cl2N3OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-43-30-21-22-31(37)33(26-30)39-35-29(4)36(42)41(40-35)34-28(3)24-27(2)25-32(34)38/h21-22,24-26,29H,5-20,23H2,1-4H3,(H,39,40)