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

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-14-7-9-19(28-2)18(11-14)26-21(27)16-5-3-4-6-17(16)25-22(26)29-13-15-8-10-20(23)24-12-15/h3-12H,13H2,1-2H3