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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(4-tert-butylbenzyl)thio]quinazolin-4-one Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-26(2,3)21-15-13-20(14-16-21)18-30-25-27-23-12-8-7-11-22(23)24(29)28(25)17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3