2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H26N5O2S2+ MolecularWeight: 408.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C18H25N5O2S2/c1-2-21-13-19-23(18(21)26)14-20-8-10-22(11-9-20)27(24,25)17-7-6-15-4-3-5-16(15)12-17/h6-7,12-13H,2-5,8-11,14H2,1H3/p+1