N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C23H15FN4O2S MolecularWeight: 430.454203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C23H15FN4O2S/c24-15-10-11-18-19(12-15)31-23(25-18)26-21(29)20-16-8-4-5-9-17(16)22(30)28(27-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26,29)