[(2S,4R,6R)-6-(4-bromophenyl)-4-oxidanyl-4-phenyl-oxan-2-yl]methyl thiocyanate

Systemtic Name: [(2S,4R,6R)-6-(4-bromophenyl)-4-oxidanyl-4-phenyl-oxan-2-yl]methyl thiocyanate Openeye Name: [(2S,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-phenyl-tetrahydropyran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [(2S,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-phenyl-2-oxanyl]methyl ester IUPAC Name: [(2S,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(2S,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-phenyl-tetrahydropyran-2-yl]methyl ester Formula: C19H18BrNO2S MolecularWeight: 404.32072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Br)CSC#N

Isomeric SMILES

C1[C@H](O[C@H](C[C@@]1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Br)CSC#N

InChI

InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1