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

Systemtic Name: 4-[5-(3-phenoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(3-phenoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-(3-phenoxypropylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(3-phenoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(3-phenoxypropylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCCCOC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCCCOC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c31-25-22-15-8-7-14-21(22)23(29-30(25)18-19-10-3-1-4-11-19)24-27-28-26(33-24)34-17-9-16-32-20-12-5-2-6-13-20/h1-8,10-15H,9,16-18H2