diethyl-[3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl]azanium

Systemtic Name: diethyl-[3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[2-[(2-methoxy-5-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[4-keto-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-3-yl]propyl]ammonium Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H28N4O4S/c1-4-25(5-2)13-8-14-26-22(28)19-9-6-7-10-20(19)24-23(26)32-16-17-15-18(27(29)30)11-12-21(17)31-3/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3/p+1