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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentyl-quinazolin-4-one Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentyl-quinazolin-4-one CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylthio]-3-pentyl-4-quinazolinone IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentylquinazolin-4-one Traditional Name: 3-amyl-2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O4S/c1-2-3-6-11-27-22(28)16-7-4-5-8-17(16)24-23(27)32-13-20-25-21(26-31-20)15-9-10-18-19(12-15)30-14-29-18/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3