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

Systemtic Name: 1,3-benzodioxol-5-yl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C22H16N4O4S/c27-20(30-17-8-9-18-19(11-17)29-14-28-18)13-31-22-25-24-21(15-5-4-10-23-12-15)26(22)16-6-2-1-3-7-16/h1-12H,13-14H2