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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[(4-piperonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C20H27N5O2S/c1-2-24-19(16-4-5-16)21-25(20(24)28)13-23-9-7-22(8-10-23)12-15-3-6-17-18(11-15)27-14-26-17/h3,6,11,16H,2,4-5,7-10,12-14H2,1H3