2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2OS/c1-18-14-19(2)16-22(15-18)29-25(30)23-8-6-7-9-24(23)28-26(29)31-17-20-10-12-21(13-11-20)27(3,4)5/h6-16H,17H2,1-5H3