6-bromanyl-3-(2-methylphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-(2-methylphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-(2-methylbenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[(2-methylphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(2-methylbenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-o-toluoyl-2-thioxo-quinazolin-4-olate Formula: C16H10BrN2O2S- MolecularWeight: 374.2318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C16H11BrN2O2S/c1-9-4-2-3-5-11(9)14(20)19-15(21)12-8-10(17)6-7-13(12)18-16(19)22/h2-8,21H,1H3/p-1