5-tert-butyl-N-[4-(4-chlorophenyl)sulfanylphenyl]-3-cyano-2-methyl-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-[4-(4-chlorophenyl)sulfanylphenyl]-3-cyano-2-methyl-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[4-(4-chlorophenyl)sulfanylphenyl]-5-cyano-2-hydroxy-6-methyl-benzamide CAS Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)thio]phenyl]-5-cyano-2-hydroxy-6-methylbenzamide IUPAC Name: 3-tert-butyl-N-[4-(4-chlorophenyl)sulfanylphenyl]-5-cyano-2-hydroxy-6-methylbenzamide Traditional Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)thio]phenyl]-5-cyano-2-hydroxy-6-methyl-benzamide Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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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=CC=C(C=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O2S/c1-15-16(14-27)13-21(25(2,3)4)23(29)22(15)24(30)28-18-7-11-20(12-8-18)31-19-9-5-17(26)6-10-19/h5-13,29H,1-4H3,(H,28,30)