(4R,6R)-6-[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)sulfanylmethyl]-4-methyl-4-oxidanyl-oxan-2-one

Systemtic Name: (4R,6R)-6-[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)sulfanylmethyl]-4-methyl-4-oxidanyl-oxan-2-one Openeye Name: (4R,6R)-6-[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)sulfanylmethyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: (4R,6R)-6-[[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)thio]methyl]-4-hydroxy-4-methyl-2-oxanone IUPAC Name: (4R,6R)-6-[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)sulfanylmethyl]-4-hydroxy-4-methyloxan-2-one Traditional Name: (4R,6R)-6-[[(2,3-diphenyl-1H-1,2,4-triazol-2-ium-5-yl)thio]methyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CSC2=NC(=[N+](N2)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[C@]1(C[C@@H](OC(=O)C1)CSC2=NC(=[N+](N2)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H21N3O3S/c1-21(26)12-17(27-18(25)13-21)14-28-20-22-19(15-8-4-2-5-9-15)24(23-20)16-10-6-3-7-11-16/h2-11,17,26H,12-14H2,1H3/p+1/t17-,21-/m1/s1