phenyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H19BrN2O4S2 MolecularWeight: 483.39916

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O4S2/c1-2-10-22-18(23)16-13-14(20)8-9-17(16)21-19(22)27-11-12-28(24,25)26-15-6-4-3-5-7-15/h3-9,13H,2,10-12H2,1H3