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

Systemtic Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(2-allylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-[(2-allylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3CC=C

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3CC=C

InChI

InChI=1S/C21H21N3O3S/c1-3-9-16-10-7-8-13-18(16)27-14-19-22-23-21(28-15(2)20(25)26)24(19)17-11-5-4-6-12-17/h3-8,10-13,15H,1,9,14H2,2H3,(H,25,26)