N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-5-tert-butyl-3-cyano-2-methyl-6-oxidanyl-benzamide

Systemtic Name: N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-5-tert-butyl-3-cyano-2-methyl-6-oxidanyl-benzamide Openeye Name: N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methyl-benzamide CAS Name: N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methylbenzamide IUPAC Name: N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methylbenzamide Traditional Name: N-[4-(4-bromophenyl)sulfinyl-2-(trifluoromethyl)phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methyl-benzamide Formula: C26H22BrF3N2O3S MolecularWeight: 579.42869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C#N)C(C)(C)C)O)C(=O)NC2=C(C=C(C=C2)S(=O)C3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C=C1C#N)C(C)(C)C)O)C(=O)NC2=C(C=C(C=C2)S(=O)C3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C26H22BrF3N2O3S/c1-14-15(13-31)11-20(25(2,3)4)23(33)22(14)24(34)32-21-10-9-18(12-19(21)26(28,29)30)36(35)17-7-5-16(27)6-8-17/h5-12,33H,1-4H3,(H,32,34)