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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H11N3O3S/c1-15-6-13-14-12(15)19-5-9(16)8-2-3-10-11(4-8)18-7-17-10/h2-4,6H,5,7H2,1H3