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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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