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

Systemtic Name: 4-[5-(2-hydroxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-hydroxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-(2-hydroxyethylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-hydroxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(2-hydroxyethylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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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)SCCO

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c24-10-11-27-19-21-20-17(26-19)16-14-8-4-5-9-15(14)18(25)23(22-16)12-13-6-2-1-3-7-13/h1-9,24H,10-12H2