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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2OS/c1-6-20(2)22-13-17-24(18-14-22)31-27(32)25-9-7-8-10-26(25)30-28(31)33-19-21-11-15-23(16-12-21)29(3,4)5/h7-18,20H,6,19H2,1-5H3