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

Systemtic Name: 4-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[[3-(3-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=CSC=C5

Isomeric SMILES

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

InChI

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