2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C16H23ClN5S+ MolecularWeight: 352.90532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5S/c1-3-20-11-18-22(16(20)23)12-19-6-8-21(9-7-19)15-10-14(17)5-4-13(15)2/h4-5,10-11H,3,6-9,12H2,1-2H3/p+1