5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1H-1,2,4-triazole Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3/c1-2-3-6-17-13-14-12(15-16-13)9-4-5-10-11(7-9)19-8-18-10/h4-5,7H,2-3,6,8H2,1H3,(H,14,15,16)