2-[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-quinazolin-4-one bromide

Systemtic Name: 2-[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-quinazolin-4-one bromide Openeye Name: 2-[2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one bromide CAS Name: 2-[[1-(4-ethoxyphenyl)-1-oxopropan-2-yl]thio]-3-ethyl-4-quinazolinone bromide IUPAC Name: 2-[1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-ethylquinazolin-4-one bromide Traditional Name: 3-ethyl-2-[(2-keto-1-methyl-2-p-phenetyl-ethyl)thio]quinazolin-4-one bromide Formula: C21H22BrN2O3S- MolecularWeight: 462.37998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC=C(C=C3)OCC.[Br-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC=C(C=C3)OCC.[Br-]

InChI

InChI=1S/C21H22N2O3S.BrH/c1-4-23-20(25)17-8-6-7-9-18(17)22-21(23)27-14(3)19(24)15-10-12-16(13-11-15)26-5-2;/h6-14H,4-5H2,1-3H3;1H/p-1