1-[(4-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine

Systemtic Name: 1-[(4-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Openeye Name: 1-[(4-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine CAS Name: 1-[(4-bromophenyl)methylthio]-4-(4-fluorophenyl)phthalazine IUPAC Name: 1-[(4-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Traditional Name: 1-[(4-bromobenzyl)thio]-4-(4-fluorophenyl)phthalazine Formula: C21H14BrFN2S MolecularWeight: 425.316663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14BrFN2S/c22-16-9-5-14(6-10-16)13-26-21-19-4-2-1-3-18(19)20(24-25-21)15-7-11-17(23)12-8-15/h1-12H,13H2