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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C21H25ClN5S+ MolecularWeight: 414.9747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5S/c1-24-20(18-5-3-2-4-6-18)23-27(21(24)28)16-26-13-11-25(12-14-26)15-17-7-9-19(22)10-8-17/h2-10H,11-16H2,1H3/p+1