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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[(4-phenyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C19H19N3O3S/c1-2-25-16-10-8-14(9-11-16)18-20-21-19(26-13-12-17(23)24)22(18)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,23,24)