2-[[5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(4-benzoxyphenyl)-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=CCN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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