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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(2,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(2,4-dimethylphenyl)quinazolin-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C)C

InChI

InChI=1S/C29H32N2OS/c1-18-12-13-26(21(4)14-18)31-27(32)23-10-8-9-11-25(23)30-28(31)33-17-24-19(2)15-22(16-20(24)3)29(5,6)7/h8-16H,17H2,1-7H3