1-[3-(hydroxymethyl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[3-(hydroxymethyl)-1-piperidyl]-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[3-(hydroxymethyl)-1-piperidinyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-1-(3-methylolpiperidino)ethanone Formula: C13H22N4O2S MolecularWeight: 298.40438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCCC(C2)CO

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCCC(C2)CO

InChI

InChI=1S/C13H22N4O2S/c1-10(2)17-9-14-15-13(17)20-8-12(19)16-5-3-4-11(6-16)7-18/h9-11,18H,3-8H2,1-2H3