2-(phenylmethyl)-4-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(phenylmethylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(benzylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C24H18N4O2S MolecularWeight: 426.49032

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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)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=CC=CC=C5

InChI

InChI=1S/C24H18N4O2S/c29-23-20-14-8-7-13-19(20)21(27-28(23)15-17-9-3-1-4-10-17)22-25-26-24(30-22)31-16-18-11-5-2-6-12-18/h1-14H,15-16H2