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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c1-27-19-9-8-15(11-17(19)22)25-20(26)16-6-2-3-7-18(16)24-21(25)28-13-14-5-4-10-23-12-14/h2-12H,13H2,1H3