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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H13N3O3/c1-2-5-16-12-13-11(14-15-12)8-3-4-9-10(6-8)18-7-17-9/h3-4,6H,2,5,7H2,1H3,(H,13,14,15)