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

Systemtic Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-propyl-quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4C

InChI

InChI=1S/C21H20N4O2S/c1-3-12-25-20(26)16-10-6-7-11-17(16)22-21(25)28-13-18-23-19(24-27-18)15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3