2-[1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid Openeye Name: 2-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid CAS Name: 2-[1-[[2-hydroxy-3-(4-methylphenoxy)propyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid IUPAC Name: 2-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Traditional Name: 2-[1-[[2-hydroxy-3-(4-methylphenoxy)propyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O)O

InChI

InChI=1S/C20H20N4O4S/c1-13-6-8-15(9-7-13)28-11-14(25)12-29-20-22-21-19-23(10-18(26)27)16-4-2-3-5-17(16)24(19)20/h2-9,14,25H,10-12H2,1H3,(H,26,27)