4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C20H20N5O2S2+ MolecularWeight: 426.5351

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C20H19N5O2S2/c1-2-5-15-14(4-1)20(22-17(21-15)12-25-7-9-26-10-8-25)29-13-18-23-19(24-27-18)16-6-3-11-28-16/h1-6,11H,7-10,12-13H2/p+1