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

Systemtic Name: (4R)-6-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-4-oxidanyl-oxan-2-one Openeye Name: (4R)-6-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: (4R)-6-[[(1,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-4-hydroxy-4-methyl-2-oxanone IUPAC Name: (4R)-6-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-hydroxy-4-methyloxan-2-one Traditional Name: (4R)-6-[[(1,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CC(OC(=O)C1)CSC2=NN(C(=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/t17?,21-/m1/s1