3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(3-methyl-5-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(3-methylisoxazol-5-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=NO4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=NO4)C

InChI

InChI=1S/C23H22ClN3O2S/c1-4-14(2)16-5-8-18(9-6-16)27-22(28)20-10-7-17(24)12-21(20)25-23(27)30-13-19-11-15(3)26-29-19/h5-12,14H,4,13H2,1-3H3