1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine CAS Name: 1-[(2-chloro-6-fluorophenyl)methylthio]-4-(4-fluorophenyl)phthalazine IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Traditional Name: 1-[(2-chloro-6-fluoro-benzyl)thio]-4-(4-fluorophenyl)phthalazine Formula: C21H13ClF2N2S MolecularWeight: 398.856126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13ClF2N2S/c22-18-6-3-7-19(24)17(18)12-27-21-16-5-2-1-4-15(16)20(25-26-21)13-8-10-14(23)11-9-13/h1-11H,12H2