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

Systemtic Name: 6-bromanyl-3-(2-methoxy-3-methyl-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-(2-methoxy-3-methyl-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[(2-methoxy-3-methylphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(2-methoxy-3-methylbenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-(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=CC=CC(=C1OC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

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