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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3S/c27-18(15-8-9-19-20(11-15)29-14-28-19)13-30-22-25-24-21(16-5-4-10-23-12-16)26(22)17-6-2-1-3-7-17/h1-12H,13-14H2