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

Systemtic Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-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=NN=C(O3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(O3)C4=CC(=CC=C4)C

InChI

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