3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-7-chloranyl-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-7-chloranyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-7-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)quinazolin-4-one CAS Name: 7-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-7-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-7-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)quinazolin-4-one Formula: C24H19Cl3N2O2S MolecularWeight: 505.84386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4)Cl)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C24H19Cl3N2O2S/c1-14(2)31-22-12-21(18(26)11-19(22)27)29-23(30)17-9-8-16(25)10-20(17)28-24(29)32-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3