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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-[2-(4-piperonylpiperazino)ethyl]-1H-1,2,4-triazole-5-thione Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=NNC(=S)N2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCC2=NNC(=S)N2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N5O2S/c30-22-24-23-21(27(22)18-4-2-1-3-5-18)8-9-25-10-12-26(13-11-25)15-17-6-7-19-20(14-17)29-16-28-19/h1-7,14H,8-13,15-16H2,(H,24,30)