1-[[5-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C22H30N6O2S MolecularWeight: 442.5776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C22H30N6O2S/c1-3-17-9-5-7-14-27(17)21(30)16(2)31-22-25-24-19(15-26-13-8-11-20(26)29)28(22)18-10-4-6-12-23-18/h4,6,10,12,16-17H,3,5,7-9,11,13-15H2,1-2H3