7-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,3-dihydro-1,4-benzodioxin-6-amine

Systemtic Name: 7-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,3-dihydro-1,4-benzodioxin-6-amine Openeye Name: 7-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,3-dihydro-1,4-benzodioxin-6-amine CAS Name: 7-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine IUPAC Name: 7-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,3-dihydro-1,4-benzodioxin-6-amine Traditional Name: [7-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amine Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC3=C(C=C2N)OCCO3

Isomeric SMILES

CN1C=NN=C1SCC2=CC3=C(C=C2N)OCCO3

InChI

InChI=1S/C12H14N4O2S/c1-16-7-14-15-12(16)19-6-8-4-10-11(5-9(8)13)18-3-2-17-10/h4-5,7H,2-3,6,13H2,1H3