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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H12N4O4S MolecularWeight: 392.38798

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C19H12N4O4S/c24-17-12-4-2-1-3-11(12)16(22-23-17)18(25)21-19-20-13(8-28-19)10-5-6-14-15(7-10)27-9-26-14/h1-8H,9H2,(H,23,24)(H,20,21,25)