2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

InChI

InChI=1S/C18H15N3O5S/c22-17(23)10-27-18-20-19-16(21(18)12-4-2-1-3-5-12)9-24-13-6-7-14-15(8-13)26-11-25-14/h1-8H,9-11H2,(H,22,23)