2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-ethanamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-2-(1,4-diketo-3H-phthalazin-2-yl)-N-methyl-acetamide Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H14BrN3O3S/c1-19(8-10-6-7-13(17)24-10)14(21)9-20-16(23)12-5-3-2-4-11(12)15(22)18-20/h2-7H,8-9H2,1H3,(H,18,22)