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

Systemtic Name: 2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-ethyl-3-methyl-quinazolin-4-one Openeye Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-3-methyl-quinazolin-4-one CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-5-ethyl-3-methyl-4-quinazolinone IUPAC Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-3-methylquinazolin-4-one Traditional Name: 2-[[4-(4-chlorobenzoyl)benzyl]thio]-5-ethyl-3-methyl-quinazolin-4-one Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O2S/c1-3-17-5-4-6-21-22(17)24(30)28(2)25(27-21)31-15-16-7-9-18(10-8-16)23(29)19-11-13-20(26)14-12-19/h4-14H,3,15H2,1-2H3