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

Systemtic Name: 4-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[(4-methoxyphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(p-anisylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-31-19-13-11-18(12-14-19)16-33-25-27-26-23(32-25)22-20-9-5-6-10-21(20)24(30)29(28-22)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3