1-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine

Systemtic Name: 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Openeye Name: 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine CAS Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(4-fluorophenyl)phthalazine IUPAC Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Traditional Name: 1-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(4-fluorophenyl)phthalazine Formula: C27H27FN2S MolecularWeight: 430.580083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C)C(C)(C)C

InChI

InChI=1S/C27H27FN2S/c1-17-14-20(27(3,4)5)15-18(2)24(17)16-31-26-23-9-7-6-8-22(23)25(29-30-26)19-10-12-21(28)13-11-19/h6-15H,16H2,1-5H3