3-[2-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-(2-chloro-4-nitro-phenyl)sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[(2-chloro-4-nitrophenyl)thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-(2-chloro-4-nitrophenyl)sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[(2-chloro-4-nitro-phenyl)thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-22(2)10-5-11-23-18(25)14-6-3-4-7-16(14)21-19(23)28-17-9-8-13(24(26)27)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1