(1S,2S)-1-(1-benzofuran-2-yl)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethanol

Systemtic Name: (1S,2S)-1-(1-benzofuran-2-yl)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethanol Openeye Name: (1S,2S)-1-(benzofuran-2-yl)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethanol CAS Name: (1S,2S)-1-(2-benzofuranyl)-2-(1-benzotriazolyl)-2-(methylthio)-1-phenylethanol IUPAC Name: (1S,2S)-1-(1-benzofuran-2-yl)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenylethanol Traditional Name: (1S,2S)-1-(benzofuran-2-yl)-2-(benzotriazol-1-yl)-2-(methylthio)-1-phenyl-ethanol Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C1=CC=CC=C1)(C2=CC3=CC=CC=C3O2)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CS[C@@H]([C@](C1=CC=CC=C1)(C2=CC3=CC=CC=C3O2)O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H19N3O2S/c1-29-22(26-19-13-7-6-12-18(19)24-25-26)23(27,17-10-3-2-4-11-17)21-15-16-9-5-8-14-20(16)28-21/h2-15,22,27H,1H3/t22-,23-/m0/s1