3-(3-bromophenyl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Formula: C18H12BrN5O2S MolecularWeight: 442.28918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)Br

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/h1-9H,(H,20,27)(H,21,22)(H,23,25)