4,5-dicyclopropyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dicyclopropyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Formula: C19H26N5O2S2+ MolecularWeight: 420.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C19H25N5O2S2/c25-28(26,17-4-2-1-3-5-17)22-12-10-21(11-13-22)14-23-19(27)24(16-8-9-16)18(20-23)15-6-7-15/h1-5,15-16H,6-14H2/p+1