N-[4-[2,5-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-[2,5-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(2,5-difluorophenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(2,5-difluorophenyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-(2,5-difluorophenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C22H18F2N4O2S MolecularWeight: 440.465726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C22H18F2N4O2S/c1-2-3-10-28-21(30)15-7-5-4-6-14(15)19(27-28)20(29)26-22-25-18(12-31-22)16-11-13(23)8-9-17(16)24/h4-9,11-12H,2-3,10H2,1H3,(H,25,26,29)