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

Systemtic Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]oxan-2-one Openeye Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrahydropyran-2-one CAS Name: 6-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-2-oxanone IUPAC Name: 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]oxan-2-one Traditional Name: 6-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]tetrahydropyran-2-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC(=O)C1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(OC(=O)C1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c24-18-13-7-12-17(25-18)14-26-21-22-19(15-8-3-1-4-9-15)20(23-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,23)