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

Systemtic Name: 4-[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[(2-methoxy-5-methylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(2-methoxy-5-methyl-benzyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3S/c1-17-12-13-22(32-2)19(14-17)16-34-26-28-27-24(33-26)23-20-10-6-7-11-21(20)25(31)30(29-23)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3