[4-[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C19H19ClFN4OS+ MolecularWeight: 405.896763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H18ClFN4OS/c1-25(2)10-17-22-15-6-4-3-5-13(15)19(24-17)27-11-18(26)23-16-8-7-12(21)9-14(16)20/h3-9H,10-11H2,1-2H3,(H,23,26)/p+1