3-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H13BrN4O4S MolecularWeight: 485.31062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C20H13BrN4O4S/c21-12-5-3-4-11(8-12)15-10-30-20(22-15)23-16(26)9-25-18(27)14-7-2-1-6-13(14)17(24-25)19(28)29/h1-8,10H,9H2,(H,28,29)(H,22,23,26)