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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=NO4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=NO4)C

InChI

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