3-(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(5-bromo-2-methoxy-3-methyl-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(5-bromo-2-methoxy-3-methylbenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(5-bromo-2-methoxy-3-methyl-benzoyl)-2-thioxo-quinazolin-4-olate Formula: C17H12BrN2O3S- MolecularWeight: 404.25778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])OC

InChI

InChI=1S/C17H13BrN2O3S/c1-9-7-10(18)8-12(14(9)23-2)16(22)20-15(21)11-5-3-4-6-13(11)19-17(20)24/h3-8,21H,1-2H3/p-1