1-[4-bromanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]-3-octadecyl-urea

Systemtic Name: 1-[4-bromanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]-3-octadecyl-urea Openeye Name: 1-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-octadecyl-urea CAS Name: 1-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-octadecylurea IUPAC Name: 1-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-octadecylurea Traditional Name: 1-[4-bromo-5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]-3-stearyl-urea Formula: C28H42BrCl3N4O2 MolecularWeight: 652.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(C(=O)C1Br)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(C(=O)C1Br)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C28H42BrCl3N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-28(38)34-26-24(29)27(37)36(35-26)25-22(31)19-21(30)20-23(25)32/h19-20,24H,2-18H2,1H3,(H2,33,34,35,38)