6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,4-dimethyl-oxan-2-one

Systemtic Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,4-dimethyl-oxan-2-one Openeye Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,4-dimethyl-tetrahydropyran-2-one CAS Name: 6-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4,4-dimethyl-2-oxanone IUPAC Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,4-dimethyloxan-2-one Traditional Name: 6-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4,4-dimethyl-tetrahydropyran-2-one Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(OC(=O)C1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24N2O2S/c1-23(2)13-18(27-19(26)14-23)15-28-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,24,25)