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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(ON=C4C)C

InChI

InChI=1S/C22H21N3O2S/c1-14-8-10-17(11-9-14)12-25-21(26)18-6-4-5-7-20(18)23-22(25)28-13-19-15(2)24-27-16(19)3/h4-11H,12-13H2,1-3H3