3-butyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4C

InChI

InChI=1S/C22H22N4O2S/c1-3-4-13-26-21(27)17-11-7-8-12-18(17)23-22(26)29-14-19-24-20(25-28-19)16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3