2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=NNC3=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)