3-butyl-4-oxidanylidene-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[4-(2-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[4-(2-pyridinyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(2-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C21H19N5O2S/c1-2-3-12-26-20(28)15-9-5-4-8-14(15)18(25-26)19(27)24-21-23-17(13-29-21)16-10-6-7-11-22-16/h4-11,13H,2-3,12H2,1H3,(H,23,24,27)