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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H28N2O2S/c1-18-10-15-24(31-5)23(16-18)29-25(30)21-8-6-7-9-22(21)28-26(29)32-17-19-11-13-20(14-12-19)27(2,3)4/h6-16H,17H2,1-5H3