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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C22H27ClN5S+ MolecularWeight: 429.00128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H26ClN5S/c1-2-27-21(19-6-4-3-5-7-19)24-28(22(27)29)17-26-14-12-25(13-15-26)16-18-8-10-20(23)11-9-18/h3-11H,2,12-17H2,1H3/p+1