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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-piperidino-ethanone Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN4OS/c16-12-6-4-11(5-7-12)14-17-18-15(22)20(14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,18,22)