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

Systemtic Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-allylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-allylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C20H19N3O3S/c1-2-8-15-9-6-7-12-17(15)26-13-18-21-22-20(27-14-19(24)25)23(18)16-10-4-3-5-11-16/h2-7,9-12H,1,8,13-14H2,(H,24,25)