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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H28N2OS/c1-19-9-11-20(12-10-19)17-29-25(30)23-7-5-6-8-24(23)28-26(29)31-18-21-13-15-22(16-14-21)27(2,3)4/h5-16H,17-18H2,1-4H3