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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(O3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(O3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-16(29-21-24-23-19(28-21)18-8-5-9-22-14-18)20(27)26-12-10-25(11-13-26)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3