3-(4-butan-2-ylphenyl)-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C31H36N2OS MolecularWeight: 484.69534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C31H36N2OS/c1-8-20(2)23-13-15-25(16-14-23)33-29(34)26-11-9-10-12-28(26)32-30(33)35-19-27-21(3)17-24(18-22(27)4)31(5,6)7/h9-18,20H,8,19H2,1-7H3