4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)benzamide Formula: C22H18BrN4O2S+ MolecularWeight: 482.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H17BrN4O2S/c23-16-8-9-19-18(11-16)21(29)27(22(30)26-19)13-14-4-6-15(7-5-14)20(28)25-12-17-3-1-2-10-24-17/h1-11H,12-13H2,(H,25,28)(H,26,30)/p+1