(4S)-4-methyl-4-oxidanyl-6-[(1,4,5-triphenylimidazol-2-yl)sulfanylmethyl]oxan-2-one

Systemtic Name: (4S)-4-methyl-4-oxidanyl-6-[(1,4,5-triphenylimidazol-2-yl)sulfanylmethyl]oxan-2-one Openeye Name: (4S)-4-hydroxy-4-methyl-6-[(1,4,5-triphenylimidazol-2-yl)sulfanylmethyl]tetrahydropyran-2-one CAS Name: (4S)-4-hydroxy-4-methyl-6-[[(1,4,5-triphenyl-2-imidazolyl)thio]methyl]-2-oxanone IUPAC Name: (4S)-4-hydroxy-4-methyl-6-[(1,4,5-triphenylimidazol-2-yl)sulfanylmethyl]oxan-2-one Traditional Name: (4S)-4-hydroxy-4-methyl-6-[[(1,4,5-triphenylimidazol-2-yl)thio]methyl]tetrahydropyran-2-one Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C[C@@]1(CC(OC(=O)C1)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H26N2O3S/c1-28(32)17-23(33-24(31)18-28)19-34-27-29-25(20-11-5-2-6-12-20)26(21-13-7-3-8-14-21)30(27)22-15-9-4-10-16-22/h2-16,23,32H,17-19H2,1H3/t23?,28-/m0/s1