4-(5-phenethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-(5-phenethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(5-phenethylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one CAS Name: 4-[5-(phenethylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(5-phenethylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(phenethylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c30-24-21-14-8-7-13-20(21)22(28-29(24)17-19-11-5-2-6-12-19)23-26-27-25(31-23)32-16-15-18-9-3-1-4-10-18/h1-14H,15-17H2