4-oxidanylidene-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(2,2,2-trifluoroethylthio)phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(2,2,2-trifluoroethylthio)phenyl]-3H-phthalazine-1-carboxamide Formula: C17H12F3N3O2S MolecularWeight: 379.35629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC=C3SCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC=C3SCC(F)(F)F

InChI

InChI=1S/C17H12F3N3O2S/c18-17(19,20)9-26-13-8-4-3-7-12(13)21-16(25)14-10-5-1-2-6-11(10)15(24)23-22-14/h1-8H,9H2,(H,21,25)(H,23,24)