1-(4-methylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-(2-oxolanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[5-(4-pyridyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

InChI

InChI=1S/C20H27N5O2S/c1-15-6-10-24(11-7-15)18(26)14-28-20-23-22-19(16-4-8-21-9-5-16)25(20)13-17-3-2-12-27-17/h4-5,8-9,15,17H,2-3,6-7,10-14H2,1H3