(1S,2R,3R,4R)-1-[6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol

Systemtic Name: (1S,2R,3R,4R)-1-[6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol Openeye Name: (1S,2R,3R,4R)-1-[6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol CAS Name: (1S,2R,3R,4R)-1-[6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol IUPAC Name: (1S,2R,3R,4R)-1-[6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol Traditional Name: (1S,2R,3R,4R)-1-[6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C16H20N4O5S/c1-8-2-4-9(5-3-8)10-7-26-16-18-17-15(20(16)19-10)14(25)13(24)12(23)11(22)6-21/h2-5,11-14,21-25H,6-7H2,1H3/t11-,12-,13+,14-/m1/s1