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

Systemtic Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H22N6OS2 MolecularWeight: 378.51548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CSC3=NC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CSC3=NC=CC=N3

InChI

InChI=1S/C16H22N6OS2/c1-2-22-13(11-24-15-17-7-6-8-18-15)19-20-16(22)25-12-14(23)21-9-4-3-5-10-21/h6-8H,2-5,9-12H2,1H3