2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[6-(1-piperidyl)-3-pyridyl]acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[6-(1-piperidinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(6-piperidino-3-pyridyl)acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN6OS/c21-15-6-4-14(5-7-15)19-24-25-20(29)27(19)13-18(28)23-16-8-9-17(22-12-16)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13H2,(H,23,28)(H,25,29)