2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C26H25ClN2OS MolecularWeight: 449.0075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H25ClN2OS/c1-17-7-5-6-8-23(17)29-24(30)21-14-13-20(27)15-22(21)28-25(29)31-16-18-9-11-19(12-10-18)26(2,3)4/h5-15H,16H2,1-4H3