4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3S/c30-20(28-13-7-2-8-14-28)16-33-24-26-25-22(32-24)21-18-11-5-6-12-19(18)23(31)29(27-21)15-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2