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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-7-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C28H29ClN2OS MolecularWeight: 477.06066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H29ClN2OS/c1-17-9-7-8-10-25(17)31-26(32)22-12-11-21(29)15-24(22)30-27(31)33-16-23-18(2)13-20(14-19(23)3)28(4,5)6/h7-15H,16H2,1-6H3