2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-21-15(13-7-6-8-17-11-13)18-19-16(21)23-12-14(22)20-9-4-3-5-10-20/h6-8,11H,2-5,9-10,12H2,1H3