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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-butyl-1H-1,2,4-triazole-5-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O2S/c1-2-3-6-16-12(14-15-13(16)19)9-4-5-10-11(7-9)18-8-17-10/h4-5,7H,2-3,6,8H2,1H3,(H,15,19)