2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-5-ethyl-3-methyl-quinazolin-4-one

Systemtic Name: 2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-5-ethyl-3-methyl-quinazolin-4-one Openeye Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-5-ethyl-3-methyl-quinazolin-4-one CAS Name: 2-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methylthio]-5-ethyl-3-methyl-4-quinazolinone IUPAC Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-5-ethyl-3-methylquinazolin-4-one Traditional Name: 2-[[4-(6-chloronicotinoyl)benzyl]thio]-5-ethyl-3-methyl-quinazolin-4-one Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O2S/c1-3-16-5-4-6-19-21(16)23(30)28(2)24(27-19)31-14-15-7-9-17(10-8-15)22(29)18-11-12-20(25)26-13-18/h4-13H,3,14H2,1-2H3