3-(4-butan-2-ylphenyl)-6-chloranyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-6-chloranyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-6-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-6-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=NOC(=N4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=NOC(=N4)C

InChI

InChI=1S/C22H21ClN4O2S/c1-4-13(2)15-5-8-17(9-6-15)27-21(28)18-11-16(23)7-10-19(18)25-22(27)30-12-20-24-14(3)29-26-20/h5-11,13H,4,12H2,1-3H3