3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-2-13-26-17-10-8-15(9-11-17)19-21-22-20(27-14-12-18(24)25)23(19)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,24,25)