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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-piperonylpiperazino)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=S)N=C(N4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=S)N=C(N4)C5=CC=CS5

InChI

InChI=1S/C19H21N5O2S2/c27-19-20-18(17-2-1-9-28-17)21-24(19)12-23-7-5-22(6-8-23)11-14-3-4-15-16(10-14)26-13-25-15/h1-4,9-10H,5-8,11-13H2,(H,20,21,27)