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

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H25ClN6S+2 MolecularWeight: 416.9707

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN6S/c1-2-26-19(16-6-8-17(21)9-7-16)23-27(20(26)28)15-24-11-13-25(14-12-24)18-5-3-4-10-22-18/h3-10H,2,11-15H2,1H3/p+2