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

Systemtic Name: 3-butyl-4-oxidanylidene-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[4-(3-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[4-(3-pyridinyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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