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

Systemtic Name: 2-[3-[2-oxidanyl-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[[2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[[2-hydroxy-3-(4-phenylphenoxy)propyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)SCC(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)