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

Systemtic Name: 7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxy-5-methyl-phenyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-3-(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=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CN=CC=C4

Isomeric SMILES

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

InChI

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