1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NN=C(O3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NN=C(O3)C4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16(29-22-25-24-20(28-22)19-8-5-11-23-15-19)21(27)26-12-9-18(10-13-26)14-17-6-3-2-4-7-17/h2-8,11,15-16,18H,9-10,12-14H2,1H3