[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(4-iodoanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(4-iodoanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(4-iodoanilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C19H20IN4OS+ MolecularWeight: 479.35777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN4OS/c1-24(2)11-17-22-16-6-4-3-5-15(16)19(23-17)26-12-18(25)21-14-9-7-13(20)8-10-14/h3-10H,11-12H2,1-2H3,(H,21,25)/p+1