3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

InChI

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