4-(2-oxidanylidenepropyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(2-oxidanylidenepropyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-one Openeye Name: 4-acetonyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-one CAS Name: 4-(2-oxopropyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-1-phthalazinone IUPAC Name: 4-(2-oxopropyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-one Traditional Name: 4-acetonyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-one Formula: C20H14F3N3O2S MolecularWeight: 417.40427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O2S/c1-11(27)8-15-13-4-2-3-5-14(13)19(28)26(25-15)10-18-24-16-9-12(20(21,22)23)6-7-17(16)29-18/h2-7,9H,8,10H2,1H3