[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H13BrN2O4S MolecularWeight: 469.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H13BrN2O4S/c22-18-11-10-17(29-18)16(25)12-28-21(27)19-14-8-4-5-9-15(14)20(26)24(23-19)13-6-2-1-3-7-13/h1-11H,12H2