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

Systemtic Name: 4-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(m-tolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[(3-methylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(3-methylbenzyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c1-17-8-7-11-19(14-17)16-32-25-27-26-23(31-25)22-20-12-5-6-13-21(20)24(30)29(28-22)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3