N-[2-[[5-methyl-4-methylsulfonyl-2-[2,4,6-tris(fluoranyl)phenyl]pyrazol-3-yl]diazenyl]-5-[methyl-[4-(trifluoromethyl)phenyl]amino]phenyl]ethanamide

Systemtic Name: N-[2-[[5-methyl-4-methylsulfonyl-2-[2,4,6-tris(fluoranyl)phenyl]pyrazol-3-yl]diazenyl]-5-[methyl-[4-(trifluoromethyl)phenyl]amino]phenyl]ethanamide Openeye Name: N-[2-[5-methyl-4-methylsulfonyl-2-(2,4,6-trifluorophenyl)pyrazol-3-yl]azo-5-[N-methyl-4-(trifluoromethyl)anilino]phenyl]acetamide CAS Name: N-[2-[[5-methyl-4-methylsulfonyl-2-(2,4,6-trifluorophenyl)-3-pyrazolyl]azo]-5-[N-methyl-4-(trifluoromethyl)anilino]phenyl]acetamide IUPAC Name: N-[2-[[5-methyl-4-methylsulfonyl-2-(2,4,6-trifluorophenyl)pyrazol-3-yl]diazenyl]-5-[N-methyl-4-(trifluoromethyl)anilino]phenyl]acetamide Traditional Name: N-[2-[4-mesyl-5-methyl-2-(2,4,6-trifluorophenyl)pyrazol-3-yl]azo-5-[N-methyl-4-(trifluoromethyl)anilino]phenyl]acetamide Formula: C27H22F6N6O3S MolecularWeight: 624.557399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C)N=NC2=C(C=C(C=C2)N(C)C3=CC=C(C=C3)C(F)(F)F)NC(=O)C)C4=C(C=C(C=C4F)F)F

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C)N=NC2=C(C=C(C=C2)N(C)C3=CC=C(C=C3)C(F)(F)F)NC(=O)C)C4=C(C=C(C=C4F)F)F

InChI

InChI=1S/C27H22F6N6O3S/c1-14-25(43(4,41)42)26(39(37-14)24-20(29)11-17(28)12-21(24)30)36-35-22-10-9-19(13-23(22)34-15(2)40)38(3)18-7-5-16(6-8-18)27(31,32)33/h5-13H,1-4H3,(H,34,40)