5-tert-butyl-2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide Formula: C25H22F3N3O6S MolecularWeight: 549.51889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C(C)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C(C)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22F3N3O6S/c1-13-20(38-16-8-5-14(6-9-16)30(34)35)12-18(24(2,3)4)22(32)21(13)23(33)29-19-10-7-15(31(36)37)11-17(19)25(26,27)28/h5-12,32H,1-4H3,(H,29,33)