2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(4-chloro-2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-chloro-2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-chloro-2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H27ClN2O2S/c1-17-14-23(24(32-5)15-21(17)28)30-25(31)20-8-6-7-9-22(20)29-26(30)33-16-18-10-12-19(13-11-18)27(2,3)4/h6-15H,16H2,1-5H3