2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]-5-bromanyl-benzoic acid

Systemtic Name: 2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[2-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoic acid CAS Name: 5-bromo-2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic acid IUPAC Name: 5-bromo-2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic acid Traditional Name: 5-bromo-2-[N'-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoic acid Formula: C11H7BrN4O4S MolecularWeight: 371.16668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NN=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NN=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C11H7BrN4O4S/c12-4-1-2-6(5(3-4)10(19)20)15-16-7-8(17)13-11(21)14-9(7)18/h1-3,15H,(H,19,20)(H2,13,14,17,18,21)