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

Systemtic Name: 3-pentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-pentyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-pentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-pentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-amyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S2/c1-2-3-6-11-24-19(25)14-8-4-5-9-15(14)21-20(24)28-13-17-22-18(23-26-17)16-10-7-12-27-16/h4-5,7-10,12H,2-3,6,11,13H2,1H3