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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-phenyl-quinazolin-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C27H28N2OS/c1-18-15-20(27(3,4)5)16-19(2)23(18)17-31-26-28-24-14-10-9-13-22(24)25(30)29(26)21-11-7-6-8-12-21/h6-16H,17H2,1-5H3