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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-piperonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H21N5O2S/c1-18-10-17-21(16(18)24)11-20-6-4-19(5-7-20)9-13-2-3-14-15(8-13)23-12-22-14/h2-3,8,10H,4-7,9,11-12H2,1H3