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

Systemtic Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C17H24N6OS2 MolecularWeight: 392.54206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)CSC3=NC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)CSC3=NC=CC=N3

InChI

InChI=1S/C17H24N6OS2/c1-3-23-14(11-25-16-18-7-4-8-19-16)20-21-17(23)26-12-15(24)22-9-5-13(2)6-10-22/h4,7-8,13H,3,5-6,9-12H2,1-2H3