2-[3-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C22H24N3O4S- MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])SC[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H25N3O4S/c1-2-6-20-23-24-22(25(20)13-21(27)28)30-15-18(26)14-29-19-11-9-17(10-12-19)16-7-4-3-5-8-16/h3-5,7-12,18,26H,2,6,13-15H2,1H3,(H,27,28)/p-1/t18-/m1/s1