2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C(C)(C)C)C(C)C

InChI

InChI=1S/C23H33N5O2S/c1-15(2)27(16(3)4)12-13-28-20(29)17-10-8-9-11-18(17)24-22(28)31-14-19-25-21(26-30-19)23(5,6)7/h8-11,15-16H,12-14H2,1-7H3/p+1