2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-6-[2,4,6-tris(fluoranyl)phenyl]-3H-1-benzothiophen-3-ol

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-6-[2,4,6-tris(fluoranyl)phenyl]-3H-1-benzothiophen-3-ol Openeye Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-6-(2,4,6-trifluorophenyl)-3H-benzothiophen-3-ol CAS Name: 2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-6-(2,4,6-trifluorophenyl)-3H-1-benzothiophen-3-ol IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-6-(2,4,6-trifluorophenyl)-3H-1-benzothiophen-3-ol Traditional Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-6-(2,4,6-trifluorophenyl)-3H-benzothiophen-3-ol Formula: C21H17F3N2OS MolecularWeight: 402.43269

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C2=C(S1)C=C(C=C2)C3=C(C=C(C=C3F)F)F)O)CC4=NC=CN4

Isomeric SMILES

C=CCC1(C(C2=C(S1)C=C(C=C2)C3=C(C=C(C=C3F)F)F)O)CC4=NC=CN4

InChI

InChI=1S/C21H17F3N2OS/c1-2-5-21(11-18-25-6-7-26-18)20(27)14-4-3-12(8-17(14)28-21)19-15(23)9-13(22)10-16(19)24/h2-4,6-10,20,27H,1,5,11H2,(H,25,26)