3-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[(4-amino-2-quinazolinyl)methylthio]-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H22N6O3S2/c1-3-27(4-2)32(28,29)15-9-7-8-14(12-15)20-25-26-21(30-20)31-13-18-23-17-11-6-5-10-16(17)19(22)24-18/h5-12H,3-4,13H2,1-2H3,(H2,22,23,24)