5-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-4-[2,4-di(propan-2-yl)phenyl]sulfanyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-4-[2,4-di(propan-2-yl)phenyl]sulfanyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-(2-chloro-4-dodecylsulfonyl-anilino)-4-(2,4-diisopropylphenyl)sulfanyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one CAS Name: 5-(2-chloro-4-dodecylsulfonylanilino)-4-[[2,4-di(propan-2-yl)phenyl]thio]-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-(2-chloro-4-dodecylsulfonylanilino)-4-[2,4-di(propan-2-yl)phenyl]sulfanyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-(2-chloro-4-laurylsulfonyl-anilino)-4-[(2,4-diisopropylphenyl)thio]-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one Formula: C39H49Cl4N3O3S2 MolecularWeight: 813.76666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=C(C=C(C=C3)C(C)C)C(C)C)C4=C(C=C(C=C4Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=C(C=C(C=C3)C(C)C)C(C)C)C4=C(C=C(C=C4Cl)Cl)Cl)Cl

InChI

InChI=1S/C39H49Cl4N3O3S2/c1-6-7-8-9-10-11-12-13-14-15-20-51(48,49)29-17-18-34(31(41)24-29)44-38-37(50-35-19-16-27(25(2)3)21-30(35)26(4)5)39(47)46(45-38)36-32(42)22-28(40)23-33(36)43/h16-19,21-26,37H,6-15,20H2,1-5H3,(H,44,45)