3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[2-(4-piperonylpiperazino)ethyl]-1H-1,2,4-triazole-5-thione Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NNC1=S)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N5O2S/c1-2-23-17(19-20-18(23)26)5-6-21-7-9-22(10-8-21)12-14-3-4-15-16(11-14)25-13-24-15/h3-4,11H,2,5-10,12-13H2,1H3,(H,20,26)