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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]quinazolin-4-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

InChI

InChI=1S/C21H18ClN3O2S/c1-12-17(22)8-6-10-19(12)25-20(26)15-7-4-5-9-18(15)23-21(25)28-11-16-13(2)24-27-14(16)3/h4-10H,11H2,1-3H3