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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3S/c1-17-6-2-5-16-12(14-15-13(16)20)9-3-4-10-11(7-9)19-8-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,20)