3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5-methylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c1-12-8-18(19(27-3)10-16(12)22)25-20(26)15-6-4-5-7-17(15)23-21(25)29-11-14-9-13(2)28-24-14/h4-10H,11H2,1-3H3