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

Systemtic Name: 4-[5-(3-oxidanylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(3-oxobutylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-(3-oxobutylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(3-oxobutylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(3-ketobutylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-14(26)11-12-29-21-23-22-19(28-21)18-16-9-5-6-10-17(16)20(27)25(24-18)13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3