(2R,3S,4R)-3-bromanyl-4-methyl-2-phenyl-thiane

Systemtic Name: (2R,3S,4R)-3-bromanyl-4-methyl-2-phenyl-thiane Openeye Name: (2R,3S,4R)-3-bromo-4-methyl-2-phenyl-tetrahydrothiopyran CAS Name: (2R,3S,4R)-3-bromo-4-methyl-2-phenylthiane IUPAC Name: (2R,3S,4R)-3-bromo-4-methyl-2-phenylthiane Traditional Name: (2R,3S,4R)-3-bromo-4-methyl-2-phenyl-tetrahydrothiopyran Formula: C12H15BrS MolecularWeight: 271.2165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC(C1Br)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CCS[C@@H]([C@H]1Br)C2=CC=CC=C2

InChI

InChI=1S/C12H15BrS/c1-9-7-8-14-12(11(9)13)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+,12-/m1/s1