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

Systemtic Name: 4-[5-(2-oxidanyl-2-phenyl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-hydroxy-2-phenyl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[(2-hydroxy-2-phenylethyl)thio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-hydroxy-2-phenylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(2-hydroxy-2-phenyl-ethyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC(C5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC(C5=CC=CC=C5)O

InChI

InChI=1S/C25H20N4O3S/c30-21(18-11-5-2-6-12-18)16-33-25-27-26-23(32-25)22-19-13-7-8-14-20(19)24(31)29(28-22)15-17-9-3-1-4-10-17/h1-14,21,30H,15-16H2