3-[(4-bromophenyl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(4-bromophenyl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-bromobenzoyl)amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-bromobenzoyl)amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(4-bromobenzoyl)amino]-2-thioxo-quinazolin-4-olate Formula: C15H9BrN3O2S- MolecularWeight: 375.21986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C15H10BrN3O2S/c16-10-7-5-9(6-8-10)13(20)18-19-14(21)11-3-1-2-4-12(11)17-15(19)22/h1-8,21H,(H,18,20)/p-1