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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H11N3O2S/c1-2-10-12-13-11(17)14(10)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3,(H,13,17)