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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(3-methyl-5-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-4-15(2)17-9-11-18(12-10-17)26-22(27)20-7-5-6-8-21(20)24-23(26)29-14-19-13-16(3)25-28-19/h5-13,15H,4,14H2,1-3H3