4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoate

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoate Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoate CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoate IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoate Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butyrate Formula: C12H10BrN2O3S- MolecularWeight: 342.1884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)N(C(=S)N2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)N(C(=S)N2)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/h3-4,6H,1-2,5H2,(H,14,19)(H,16,17)/p-1