3,5-dicyano-4-methyl-4-phenyl-6-sulfanyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium

Systemtic Name: 3,5-dicyano-4-methyl-4-phenyl-6-sulfanyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium Openeye Name: 3,5-dicyano-4-methyl-4-phenyl-6-sulfanyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium CAS Name: 3,5-dicyano-6-mercapto-4-methyl-4-phenyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium IUPAC Name: 3,5-dicyano-4-methyl-4-phenyl-6-sulfanyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium Traditional Name: 3,5-dicyano-6-mercapto-4-methyl-4-phenyl-3H-pyridin-2-olate; 4-methylmorpholin-4-ium Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=NC(=C1C#N)S)[O-])C#N)C2=CC=CC=C2.C[NH+]1CCOCC1

Isomeric SMILES

CC1(C(C(=NC(=C1C#N)S)[O-])C#N)C2=CC=CC=C2.C[NH+]1CCOCC1

InChI

InChI=1S/C14H11N3OS.C5H11NO/c1-14(9-5-3-2-4-6-9)10(7-15)12(18)17-13(19)11(14)8-16;1-6-2-4-7-5-3-6/h2-6,10,19H,1H3,(H,17,18);2-5H2,1H3