4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylphthalazin-1-yl]benzamide

Systemtic Name: 4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylphthalazin-1-yl]benzamide Openeye Name: 4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylphthalazin-1-yl]benzamide CAS Name: 4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-phthalazinyl]benzamide IUPAC Name: 4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylphthalazin-1-yl]benzamide Traditional Name: 4-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]phthalazin-1-yl]benzamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C29H31N3O2S/c1-28(2,3)22-15-19(16-23(25(22)33)29(4,5)6)35-27-21-10-8-7-9-20(21)24(31-32-27)17-11-13-18(14-12-17)26(30)34/h7-16,33H,1-6H3,(H2,30,34)