7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Systemtic Name: 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine Openeye Name: 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine CAS Name: 7-[(1H-1,2,4-triazol-5-ylthio)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine IUPAC Name: 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine Traditional Name: [7-[(1H-1,2,4-triazol-5-ylthio)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amine Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)N)CSC3=NC=NN3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)N)CSC3=NC=NN3

InChI

InChI=1S/C11H12N4O2S/c12-8-4-10-9(16-1-2-17-10)3-7(8)5-18-11-13-6-14-15-11/h3-4,6H,1-2,5,12H2,(H,13,14,15)