3-(4-butan-2-ylphenyl)-7-chloranyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-phenacylsulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-phenacylsulfanylquinazolin-4-one Traditional Name: 7-chloro-2-(phenacylthio)-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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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=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S/c1-3-17(2)18-9-12-21(13-10-18)29-25(31)22-14-11-20(27)15-23(22)28-26(29)32-16-24(30)19-7-5-4-6-8-19/h4-15,17H,3,16H2,1-2H3