N-[2-bromanyl-4-(4-cyanophenyl)sulfanyl-phenyl]-5-tert-butyl-3-cyano-2-methyl-6-oxidanyl-benzamide

Systemtic Name: N-[2-bromanyl-4-(4-cyanophenyl)sulfanyl-phenyl]-5-tert-butyl-3-cyano-2-methyl-6-oxidanyl-benzamide Openeye Name: N-[2-bromo-4-(4-cyanophenyl)sulfanyl-phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methyl-benzamide CAS Name: N-[2-bromo-4-[(4-cyanophenyl)thio]phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methylbenzamide IUPAC Name: N-[2-bromo-4-(4-cyanophenyl)sulfanylphenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methylbenzamide Traditional Name: N-[2-bromo-4-[(4-cyanophenyl)thio]phenyl]-3-tert-butyl-5-cyano-2-hydroxy-6-methyl-benzamide Formula: C26H22BrN3O2S MolecularWeight: 520.44078

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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)SC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CC1=C(C(=C(C=C1C#N)C(C)(C)C)O)C(=O)NC2=C(C=C(C=C2)SC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C26H22BrN3O2S/c1-15-17(14-29)11-20(26(2,3)4)24(31)23(15)25(32)30-22-10-9-19(12-21(22)27)33-18-7-5-16(13-28)6-8-18/h5-12,31H,1-4H3,(H,30,32)