phenacyl 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: phenacyl 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenacyl 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O5S/c29-20(17-7-3-1-4-8-17)14-31-23(30)15-34-25-27-26-24(28(25)19-9-5-2-6-10-19)18-11-12-21-22(13-18)33-16-32-21/h1-13H,14-16H2