2,6-ditert-butyl-4-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-phenol

Systemtic Name: 2,6-ditert-butyl-4-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-phenol Openeye Name: 2,6-ditert-butyl-4-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-phenol CAS Name: 2,6-ditert-butyl-4-[[4-(4-chlorophenyl)-1-phthalazinyl]thio]phenol IUPAC Name: 2,6-ditert-butyl-4-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylphenol Traditional Name: 2,6-ditert-butyl-4-[[4-(4-chlorophenyl)phthalazin-1-yl]thio]phenol Formula: C28H29ClN2OS MolecularWeight: 477.06066

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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)Cl

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)Cl

InChI

InChI=1S/C28H29ClN2OS/c1-27(2,3)22-15-19(16-23(25(22)32)28(4,5)6)33-26-21-10-8-7-9-20(21)24(30-31-26)17-11-13-18(29)14-12-17/h7-16,32H,1-6H3