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

Systemtic Name: 6-azanyl-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Openeye Name: 6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium CAS Name: 6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinethiolate; 4-methylmorpholin-4-ium IUPAC Name: 6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Traditional Name: 6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridine-2-thiolate; 4-methylmorpholin-4-ium Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N)OC

Isomeric SMILES

C[NH+]1CCOCC1.COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N)OC

InChI

InChI=1S/C15H12N4O2S.C5H11NO/c1-20-11-4-3-8(5-12(11)21-2)13-9(6-16)14(18)19-15(22)10(13)7-17;1-6-2-4-7-5-3-6/h3-5H,1-2H3,(H3,18,19,22);2-5H2,1H3