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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H23ClN5S+ MolecularWeight: 400.94812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5S/c21-18-8-6-17(7-9-18)14-23-10-12-24(13-11-23)16-26-20(27)25(15-22-26)19-4-2-1-3-5-19/h1-9,15H,10-14,16H2/p+1