5-(4-chlorophenyl)-2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-prop-2-enyl-imidazole

Systemtic Name: 5-(4-chlorophenyl)-2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-prop-2-enyl-imidazole Openeye Name: 1-allyl-5-(4-chlorophenyl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]imidazole CAS Name: 5-(4-chlorophenyl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-prop-2-enylimidazole IUPAC Name: 5-(4-chlorophenyl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-prop-2-enylimidazole Traditional Name: 1-allyl-5-(4-chlorophenyl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]imidazole Formula: C27H22ClFN2O2S MolecularWeight: 492.992183

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C=CCN1C(=CN=C1SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22ClFN2O2S/c1-2-12-31-24(18-8-10-22(28)11-9-18)15-30-27(31)34-17-21-14-23(29)13-20-16-32-26(33-25(20)21)19-6-4-3-5-7-19/h2-11,13-15,26H,1,12,16-17H2/t26-/m0/s1