2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-chloro-3-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Formula: C25H22Cl2N2OS MolecularWeight: 469.42598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22Cl2N2OS/c1-25(2,3)17-6-4-16(5-7-17)15-31-24-28-22-14-19(27)10-13-21(22)23(30)29(24)20-11-8-18(26)9-12-20/h4-14H,15H2,1-3H3