(1S,2R)-2-(1-benzofuran-2-yl)-1-(benzotriazol-1-yl)-1-methylsulfanyl-propan-2-ol

Systemtic Name: (1S,2R)-2-(1-benzofuran-2-yl)-1-(benzotriazol-1-yl)-1-methylsulfanyl-propan-2-ol Openeye Name: (1S,2R)-2-(benzofuran-2-yl)-1-(benzotriazol-1-yl)-1-methylsulfanyl-propan-2-ol CAS Name: (1S,2R)-2-(2-benzofuranyl)-1-(1-benzotriazolyl)-1-(methylthio)-2-propanol IUPAC Name: (1S,2R)-2-(1-benzofuran-2-yl)-1-(benzotriazol-1-yl)-1-methylsulfanylpropan-2-ol Traditional Name: (1S,2R)-2-(benzofuran-2-yl)-1-(benzotriazol-1-yl)-1-(methylthio)propan-2-ol Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)(C(N3C4=CC=CC=C4N=N3)SC)O

Isomeric SMILES

C[C@@](C1=CC2=CC=CC=C2O1)([C@@H](N3C4=CC=CC=C4N=N3)SC)O

InChI

InChI=1S/C18H17N3O2S/c1-18(22,16-11-12-7-3-6-10-15(12)23-16)17(24-2)21-14-9-5-4-8-13(14)19-20-21/h3-11,17,22H,1-2H3/t17-,18+/m0/s1