2-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-diethyl-azanium

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-diethyl-azanium Openeye Name: 2-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl-diethyl-ammonium CAS Name: 2-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-diethylammonium IUPAC Name: 2-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-diethylazanium Traditional Name: 2-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)ethyl-diethyl-ammonium Formula: C14H19BrN3OS+ MolecularWeight: 357.28916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C14H18BrN3OS/c1-3-17(4-2)7-8-18-13(19)11-9-10(15)5-6-12(11)16-14(18)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)/p+1