4-[(4-bromanylpyrazol-1-yl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C19H14BrN5O2S MolecularWeight: 456.31576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C19H14BrN5O2S/c20-14-9-21-24(11-14)10-12-5-7-13(8-6-12)17(26)23-25-18(27)15-3-1-2-4-16(15)22-19(25)28/h1-9,11H,10H2,(H,22,28)(H,23,26)