N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H16FN3O2S MolecularWeight: 369.412643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C19H16FN3O2S/c1-23-19(25)13-5-3-2-4-12(13)17(22-23)18(24)21-15-8-9-26-16-7-6-11(20)10-14(15)16/h2-7,10,15H,8-9H2,1H3,(H,21,24)