(3R)-6-fluoranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-3-ol

Systemtic Name: (3R)-6-fluoranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-3-ol Openeye Name: (3R)-6-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-3-ol CAS Name: (3R)-6-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-3-ol IUPAC Name: (3R)-6-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-3-ol Traditional Name: (3R)-6-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-3-ol Formula: C13H14FN3OS MolecularWeight: 279.333163

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=C(S1)C=C(C=C2)F)(CN3C=NC=N3)O)C

Isomeric SMILES

CC1([C@@](C2=C(S1)C=C(C=C2)F)(CN3C=NC=N3)O)C

InChI

InChI=1S/C13H14FN3OS/c1-12(2)13(18,6-17-8-15-7-16-17)10-4-3-9(14)5-11(10)19-12/h3-5,7-8,18H,6H2,1-2H3/t13-/m0/s1