1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4

InChI

InChI=1S/C18H16N4O3S/c1-22-17(12-4-6-19-7-5-12)20-21-18(22)26-11-14(23)13-2-3-15-16(10-13)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3