diethyl-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]ethyl]ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-3-23(4-2)13-14-24-20(26)18-7-5-6-8-19(18)22-21(24)29-15-16-9-11-17(12-10-16)25(27)28/h5-12H,3-4,13-15H2,1-2H3/p+1