4-(6-bromanyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)butanoate

Systemtic Name: 4-(6-bromanyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)butanoate Openeye Name: 4-(6-bromo-4-oxido-2-thioxo-quinazolin-3-yl)butanoate CAS Name: 4-(6-bromo-4-oxido-2-sulfanylidene-3-quinazolinyl)butanoate IUPAC Name: 4-(6-bromo-4-oxido-2-sulfanylidenequinazolin-3-yl)butanoate Traditional Name: 4-(6-bromo-4-oxido-2-thioxo-quinazolin-3-yl)butyrate Formula: C12H9BrN2O3S-2 MolecularWeight: 341.18046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=S)N(C(=C2C=C1Br)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=NC(=S)N(C(=C2C=C1Br)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C12H11BrN2O3S/c13-7-3-4-9-8(6-7)11(18)15(12(19)14-9)5-1-2-10(16)17/h3-4,6,18H,1-2,5H2,(H,16,17)/p-2