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

Systemtic Name: 2-(phenylmethyl)-4-[5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(3-phenylpropylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(3-phenylpropylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c31-25-22-16-8-7-15-21(22)23(29-30(25)18-20-12-5-2-6-13-20)24-27-28-26(32-24)33-17-9-14-19-10-3-1-4-11-19/h1-8,10-13,15-16H,9,14,17-18H2