2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-(methoxymethyl)-3-methyl-quinazolin-4-one

Systemtic Name: 2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-(methoxymethyl)-3-methyl-quinazolin-4-one Openeye Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-(methoxymethyl)-3-methyl-quinazolin-4-one CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-5-(methoxymethyl)-3-methyl-4-quinazolinone IUPAC Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-(methoxymethyl)-3-methylquinazolin-4-one Traditional Name: 2-[[4-(4-chlorobenzoyl)benzyl]thio]-5-(methoxymethyl)-3-methyl-quinazolin-4-one Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)COC

Isomeric SMILES

CN1C(=O)C2=C(C=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)COC

InChI

InChI=1S/C25H21ClN2O3S/c1-28-24(30)22-19(14-31-2)4-3-5-21(22)27-25(28)32-15-16-6-8-17(9-7-16)23(29)18-10-12-20(26)13-11-18/h3-13H,14-15H2,1-2H3