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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

InChI

InChI=1S/C22H21N3O2S/c1-4-16-9-11-17(12-10-16)25-21(26)18-7-5-6-8-20(18)23-22(25)28-13-19-14(2)24-27-15(19)3/h5-12H,4,13H2,1-3H3