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

Systemtic Name: 3-butyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(5-methyl-2-furyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(5-methyl-2-furanyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(5-methyl-2-furyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(O4)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(O4)C

InChI

InChI=1S/C21H20N4O3S/c1-3-4-11-25-20(27)15-8-6-5-7-14(15)18(24-25)19(26)23-21-22-16(12-29-21)17-10-9-13(2)28-17/h5-10,12H,3-4,11H2,1-2H3,(H,22,23,26)