2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-3-(4-butan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-3-(4-butan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(2,6-dichlorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H22Cl2N2OS MolecularWeight: 469.42598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H22Cl2N2OS/c1-3-16(2)17-11-13-18(14-12-17)29-24(30)19-7-4-5-10-23(19)28-25(29)31-15-20-21(26)8-6-9-22(20)27/h4-14,16H,3,15H2,1-2H3