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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

InChI

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