1-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methylthio]-4-(4-fluorophenyl)phthalazine IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Traditional Name: 1-[(4,5-dimethoxy-2-methyl-benzyl)thio]-4-(4-fluorophenyl)phthalazine Formula: C24H21FN2O2S MolecularWeight: 420.499143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O2S/c1-15-12-21(28-2)22(29-3)13-17(15)14-30-24-20-7-5-4-6-19(20)23(26-27-24)16-8-10-18(25)11-9-16/h4-13H,14H2,1-3H3