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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(o-tolyl)quinazolin-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H30N2OS/c1-18-11-7-10-14-25(18)30-26(31)22-12-8-9-13-24(22)29-27(30)32-17-23-19(2)15-21(16-20(23)3)28(4,5)6/h7-16H,17H2,1-6H3