3-[[3-(3-bromophenyl)-1H-pyrazol-5-yl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[3-(3-bromophenyl)-1H-pyrazol-5-yl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[3-(3-bromophenyl)-1H-pyrazole-5-carbonyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[[3-(3-bromophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[3-(3-bromophenyl)-1H-pyrazole-5-carbonyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[3-(3-bromophenyl)-1H-pyrazole-5-carbonyl]amino]-2-thioxo-quinazolin-4-olate Formula: C18H11BrN5O2S- MolecularWeight: 441.28124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)Br)[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)Br)[O-]

InChI

InChI=1S/C18H12BrN5O2S/c19-11-5-3-4-10(8-11)14-9-15(22-21-14)16(25)23-24-17(26)12-6-1-2-7-13(12)20-18(24)27/h1-9,26H,(H,21,22)(H,23,25)/p-1