2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-7-chloranyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-7-chloranyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-7-chloro-quinazolin-4-one CAS Name: 2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-7-chloro-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-7-chloroquinazolin-4-one Traditional Name: 3-benzyl-2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-7-chloro-quinazolin-4-one Formula: C25H20BrClN2O2S MolecularWeight: 527.8605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrClN2O2S/c26-19-10-8-18(9-11-19)23(30)7-4-14-32-25-28-22-15-20(27)12-13-21(22)24(31)29(25)16-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14,16H2