4-oxidanylidene-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C12H6F3N5O2S MolecularWeight: 341.26855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C12H6F3N5O2S/c13-12(14,15)10-19-20-11(23-10)16-9(22)7-5-3-1-2-4-6(5)8(21)18-17-7/h1-4H,(H,18,21)(H,16,20,22)