N-(1,3-benzodioxol-5-yl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C21H15N3O4S/c25-19(22-13-7-8-16-17(10-13)28-12-27-16)11-24-21(26)15-5-2-1-4-14(15)20(23-24)18-6-3-9-29-18/h1-10H,11-12H2,(H,22,25)