1-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-phenyl-phthalazine

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-phenyl-phthalazine Openeye Name: 1-[(3,4-difluorophenyl)methylsulfanyl]-4-phenyl-phthalazine CAS Name: 1-[(3,4-difluorophenyl)methylthio]-4-phenylphthalazine IUPAC Name: 1-[(3,4-difluorophenyl)methylsulfanyl]-4-phenylphthalazine Traditional Name: 1-[(3,4-difluorobenzyl)thio]-4-phenyl-phthalazine Formula: C21H14F2N2S MolecularWeight: 364.411066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H14F2N2S/c22-18-11-10-14(12-19(18)23)13-26-21-17-9-5-4-8-16(17)20(24-25-21)15-6-2-1-3-7-15/h1-12H,13H2