8-[(1-methylimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-[(1-methylimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(1-methylimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[[(1-methyl-2-imidazolyl)thio]methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(1-methylimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[[(1-methylimidazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

CN1C=CN=C1SCC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C13H15N3O2S/c1-16-3-2-15-13(16)19-7-10-5-11(14)4-9-6-17-8-18-12(9)10/h2-5H,6-8,14H2,1H3