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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

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