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

Systemtic Name: 2-(phenylmethyl)-4-[5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[5-[2-(4-pyridyl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(2-pyridin-4-ylethylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[2-(4-pyridyl)ethylthio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C24H19N5O2S MolecularWeight: 441.50496

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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)SCCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCCC5=CC=NC=C5

InChI

InChI=1S/C24H19N5O2S/c30-23-20-9-5-4-8-19(20)21(28-29(23)16-18-6-2-1-3-7-18)22-26-27-24(31-22)32-15-12-17-10-13-25-14-11-17/h1-11,13-14H,12,15-16H2