2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 5-isopropyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 5-isopropyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H26N5O2S2+ MolecularWeight: 432.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H25N5O2S2/c1-15(2)19-21-20(28)25(22-19)14-23-9-11-24(12-10-23)29(26,27)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,21,22,28)/p+1