3-methyl-4-oxidanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[5-[3-(trifluoromethyl)benzyl]thiazol-2-yl]phthalazine-1-carboxamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O2S/c1-28-19(30)16-8-3-2-7-15(16)17(27-28)18(29)26-20-25-11-14(31-20)10-12-5-4-6-13(9-12)21(22,23)24/h2-9,11H,10H2,1H3,(H,25,26,29)