2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-isopentyl-quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7-chloro-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-chloro-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7-chloro-3-isoamyl-quinazolin-4-one Formula: C21H20BrClN2O2S MolecularWeight: 479.8177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrClN2O2S/c1-13(2)9-10-25-20(27)17-8-7-16(23)11-18(17)24-21(25)28-12-19(26)14-3-5-15(22)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3