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

Systemtic Name: 2-[3-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-[4-ethyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-piperidyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-[4-ethyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-[4-ethyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidino]-1-pyrrolidino-ethanone Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CCCN(C3)CC(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CCCN(C3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H30N6OS/c1-2-27-20(23-24-21(27)29-16-17-7-5-9-22-13-17)18-8-6-10-25(14-18)15-19(28)26-11-3-4-12-26/h5,7,9,13,18H,2-4,6,8,10-12,14-16H2,1H3