(E)-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methoxyphenyl)amino]methanolate; 4-methylmorpholin-4-ium

Systemtic Name: (E)-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methoxyphenyl)amino]methanolate; 4-methylmorpholin-4-ium Openeye Name: (E)-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium CAS Name: (E)-(5-cyano-6-mercapto-2-methyl-4-phenyl-4H-pyridin-3-ylidene)-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium IUPAC Name: (E)-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium Traditional Name: (E)-(5-cyano-6-mercapto-2-methyl-4-phenyl-4H-pyridin-3-ylidene)-(o-anisidino)methanolate; 4-methylmorpholin-4-ium Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(NC2=CC=CC=C2OC)[O-])C3=CC=CC=C3)C#N)S.C[NH+]1CCOCC1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/NC2=CC=CC=C2OC)\[O-])C3=CC=CC=C3)C#N)S.C[NH+]1CCOCC1

InChI

InChI=1S/C21H19N3O2S.C5H11NO/c1-13-18(20(25)24-16-10-6-7-11-17(16)26-2)19(14-8-4-3-5-9-14)15(12-22)21(27)23-13;1-6-2-4-7-5-3-6/h3-11,19,24-25,27H,1-2H3;2-5H2,1H3/b20-18-;