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

Systemtic Name: 6-azanyl-4-(4-butoxy-3-methoxy-phenyl)-3,5-dicyano-pyridine-2-thiolate; 4-methylmorpholin-4-ium Openeye Name: 6-amino-4-(4-butoxy-3-methoxy-phenyl)-3,5-dicyano-pyridine-2-thiolate; 4-methylmorpholin-4-ium CAS Name: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-dicyano-2-pyridinethiolate; 4-methylmorpholin-4-ium IUPAC Name: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-dicyanopyridine-2-thiolate; 4-methylmorpholin-4-ium Traditional Name: 6-amino-4-(4-butoxy-3-methoxy-phenyl)-3,5-dicyano-pyridine-2-thiolate; 4-methylmorpholin-4-ium Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N)OC.C[NH+]1CCOCC1

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)[S-])N)C#N)OC.C[NH+]1CCOCC1

InChI

InChI=1S/C18H18N4O2S.C5H11NO/c1-3-4-7-24-14-6-5-11(8-15(14)23-2)16-12(9-19)17(21)22-18(25)13(16)10-20;1-6-2-4-7-5-3-6/h5-6,8H,3-4,7H2,1-2H3,(H3,21,22,25);2-5H2,1H3