6-azanyl-3,5-dicyano-4-(4-nitrophenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium

Systemtic Name: 6-azanyl-3,5-dicyano-4-(4-nitrophenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Openeye Name: 6-amino-3,5-dicyano-4-(4-nitrophenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium CAS Name: 6-amino-3,5-dicyano-4-(4-nitrophenyl)-2-pyridinethiolate; 4-methylmorpholin-4-ium IUPAC Name: 6-amino-3,5-dicyano-4-(4-nitrophenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Traditional Name: 6-amino-3,5-dicyano-4-(4-nitrophenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)[S-])N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCOCC1.C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)[S-])N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O2S.C5H11NO/c14-5-9-11(10(6-15)13(21)17-12(9)16)7-1-3-8(4-2-7)18(19)20;1-6-2-4-7-5-3-6/h1-4H,(H3,16,17,21);2-5H2,1H3