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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C22H26N5O2S2+ MolecularWeight: 456.60414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

InChI=1S/C22H25N5O2S2/c30-22-26(23-21(20-2-1-11-31-20)27(22)17-4-5-17)14-25-9-7-24(8-10-25)13-16-3-6-18-19(12-16)29-15-28-18/h1-3,6,11-12,17H,4-5,7-10,13-15H2/p+1