2-[[4-(6-chloranylpyridin-3-yl)carbonyl-3-ethyl-phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(6-chloranylpyridin-3-yl)carbonyl-3-ethyl-phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(6-chloropyridine-3-carbonyl)-3-ethyl-phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-[(6-chloro-3-pyridinyl)-oxomethyl]-3-ethylphenyl]methylthio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(6-chloropyridine-3-carbonyl)-3-ethylphenyl]methylsulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(6-chloronicotinoyl)-3-ethyl-benzyl]thio]methyl]-1H-quinazolin-4-one Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CSCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)CSCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-2-16-11-15(7-9-18(16)23(29)17-8-10-21(25)26-12-17)13-31-14-22-27-20-6-4-3-5-19(20)24(30)28-22/h3-12H,2,13-14H2,1H3,(H,27,28,30)