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

Systemtic Name: 2-(phenylmethyl)-4-[5-(2-propan-2-yloxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-isopropoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(2-propan-2-yloxyethylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-propan-2-yloxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(2-isopropoxyethylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OCCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-15(2)28-12-13-30-22-24-23-20(29-22)19-17-10-6-7-11-18(17)21(27)26(25-19)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3