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

Systemtic Name: 5-(4-chlorophenyl)-4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1,2,4-triazole-3-thiolate Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=NN=C3[S-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=NN=C3[S-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN6OS/c20-15-6-4-14(5-7-15)18-22-23-19(28)26(18)13-17(27)25-11-9-24(10-12-25)16-3-1-2-8-21-16/h1-8H,9-13H2,(H,23,28)