3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylthio]-7-chloro-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloroquinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-chloro-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C29H31ClN2OS MolecularWeight: 491.08724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2OS/c1-6-19(2)21-9-14-24(15-10-21)32-27(33)25-16-13-23(30)17-26(25)31-28(32)34-18-20-7-11-22(12-8-20)29(3,4)5/h7-17,19H,6,18H2,1-5H3