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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13N3O3S/c1-8-14-13(16-15-8)20-7-10(17)9-2-3-11-12(6-9)19-5-4-18-11/h2-3,6H,4-5,7H2,1H3,(H,14,15,16)