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

Systemtic Name: 4-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N5O3S/c29-19(27-12-6-7-13-27)15-32-23-25-24-21(31-23)20-17-10-4-5-11-18(17)22(30)28(26-20)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2