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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C20H23ClN5S+ MolecularWeight: 400.94812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=NNC(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=NNC(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

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