2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C21H16F3N5O3S MolecularWeight: 475.44365

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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)SCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC(=O)NCC(F)(F)F

InChI

InChI=1S/C21H16F3N5O3S/c22-21(23,24)12-25-16(30)11-33-20-27-26-18(32-20)17-14-8-4-5-9-15(14)19(31)29(28-17)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,25,30)