3-[(5-bromanylthiophen-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-bromo-2-thienyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-bromo-2-thienyl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C14H9BrN2O3S MolecularWeight: 365.20186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C14H9BrN2O3S/c15-11-6-5-8(21-11)7-17-13(18)10-4-2-1-3-9(10)12(16-17)14(19)20/h1-6H,7H2,(H,19,20)