4-ethyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C16H24N5O2S2+ MolecularWeight: 382.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H23N5O2S2/c1-2-19-13-17-21(16(19)24)14-18-8-10-20(11-9-18)25(22,23)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3/p+1