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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C24H24ClN6S+ MolecularWeight: 464.00556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H23ClN6S/c25-20-7-4-10-22(16-20)29-14-12-28(13-15-29)18-30-24(32)31(21-8-2-1-3-9-21)23(27-30)19-6-5-11-26-17-19/h1-11,16-17H,12-15,18H2/p+1