2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C(=C4C)C(=O)C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C(=C4C)C(=O)C)C)C

InChI

InChI=1S/C28H28N2O2S/c1-6-21-11-13-22(14-12-21)30-27(32)23-9-7-8-10-25(23)29-28(30)33-16-24-17(2)15-18(3)26(19(24)4)20(5)31/h7-15H,6,16H2,1-5H3