5-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-4-dodecylsulfanyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-4-dodecylsulfanyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-(2,4-dichloro-5-methoxy-anilino)-4-dodecylsulfanyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one CAS Name: 5-(2,4-dichloro-5-methoxyanilino)-4-(dodecylthio)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-(2,4-dichloro-5-methoxyanilino)-4-dodecylsulfanyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-(2,4-dichloro-5-methoxy-anilino)-4-(laurylthio)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one Formula: C28H34Cl5N3O2S MolecularWeight: 653.91846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC3=CC(=C(C=C3Cl)Cl)OC

Isomeric SMILES

CCCCCCCCCCCCSC1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC3=CC(=C(C=C3Cl)Cl)OC

InChI

InChI=1S/C28H34Cl5N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-39-26-27(34-23-17-24(38-2)20(31)16-19(23)30)35-36(28(26)37)25-21(32)14-18(29)15-22(25)33/h14-17,26H,3-13H2,1-2H3,(H,34,35)