[4-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-ethyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-piperidyl]-morpholino-methanone CAS Name: [4-[4-ethyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-ethyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidino]-morpholino-methanone Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C20H28N6O2S/c1-2-26-18(22-23-19(26)29-15-16-4-3-7-21-14-16)17-5-8-24(9-6-17)20(27)25-10-12-28-13-11-25/h3-4,7,14,17H,2,5-6,8-13,15H2,1H3