2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-7-chloro-3-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Formula: C27H26Cl2N2OS MolecularWeight: 497.47914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl)C)C(C)(C)C

InChI

InChI=1S/C27H26Cl2N2OS/c1-16-12-18(27(3,4)5)13-17(2)23(16)15-33-26-30-24-14-20(29)8-11-22(24)25(32)31(26)21-9-6-19(28)7-10-21/h6-14H,15H2,1-5H3