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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-[(3-methylisoxazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-[(3-methyl-5-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,5-dimethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-[(3-methylisoxazol-5-yl)methylthio]quinazolin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=NO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=NO4)C

InChI

InChI=1S/C21H19N3O2S/c1-13-8-9-14(2)19(10-13)24-20(25)17-6-4-5-7-18(17)22-21(24)27-12-16-11-15(3)23-26-16/h4-11H,12H2,1-3H3