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

Systemtic Name: [4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylphthalazin-1-yl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylphthalazin-1-yl]phenyl]-morpholino-methanone CAS Name: [4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-phthalazinyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylphthalazin-1-yl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]phthalazin-1-yl]phenyl]-morpholino-methanone Formula: C33H37N3O3S MolecularWeight: 555.73018

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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)N5CCOCC5

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)N5CCOCC5

InChI

InChI=1S/C33H37N3O3S/c1-32(2,3)26-19-23(20-27(29(26)37)33(4,5)6)40-30-25-10-8-7-9-24(25)28(34-35-30)21-11-13-22(14-12-21)31(38)36-15-17-39-18-16-36/h7-14,19-20,37H,15-18H2,1-6H3