4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC2=CC3=C(C=C2)OCCO3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CCC2=CC3=C(C=C2)OCCO3)[S-]

InChI

InChI=1S/C15H19N3O2S/c1-2-3-14-16-17-15(21)18(14)7-6-11-4-5-12-13(10-11)20-9-8-19-12/h4-5,10H,2-3,6-9H2,1H3,(H,17,21)/p-1