3-(4-butan-2-ylphenyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 2-phenacylsulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 2-(phenacylthio)-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-3-18(2)19-13-15-21(16-14-19)28-25(30)22-11-7-8-12-23(22)27-26(28)31-17-24(29)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3