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

Systemtic Name: 5-tert-butyl-N-(2-chloranyl-4-nitro-phenyl)-2-methyl-3-(4-nitrophenyl)sulfanyl-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanyl-benzamide CAS Name: 3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]benzamide IUPAC Name: 3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanylbenzamide Traditional Name: 3-tert-butyl-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]benzamide Formula: C24H22ClN3O6S MolecularWeight: 515.96598

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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-])Cl)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-])Cl)O)C(C)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN3O6S/c1-13-20(35-16-8-5-14(6-9-16)27(31)32)12-17(24(2,3)4)22(29)21(13)23(30)26-19-10-7-15(28(33)34)11-18(19)25/h5-12,29H,1-4H3,(H,26,30)