4-[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[(3,3-dimethyl-2-oxobutyl)thio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(2-keto-3,3-dimethyl-butyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-23(2,3)18(28)14-31-22-25-24-20(30-22)19-16-11-7-8-12-17(16)21(29)27(26-19)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3