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

Systemtic Name: (E)-(5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-[(2-methoxyphenyl)amino]methanolate; 4-methylmorpholin-4-ium Openeye Name: (E)-[5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-4H-pyridin-3-ylidene]-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium CAS Name: (E)-(5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium IUPAC Name: (E)-(5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene)-(2-methoxyanilino)methanolate; 4-methylmorpholin-4-ium Traditional Name: (E)-[5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-4H-pyridin-3-ylidene]-(o-anisidino)methanolate; 4-methylmorpholin-4-ium Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(NC2=CC=CC=C2OC)[O-])C3=CC=CS3)C#N)S.C[NH+]1CCOCC1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/NC2=CC=CC=C2OC)\[O-])C3=CC=CS3)C#N)S.C[NH+]1CCOCC1

InChI

InChI=1S/C19H17N3O2S2.C5H11NO/c1-11-16(18(23)22-13-6-3-4-7-14(13)24-2)17(15-8-5-9-26-15)12(10-20)19(25)21-11;1-6-2-4-7-5-3-6/h3-9,17,22-23,25H,1-2H3;2-5H2,1H3/b18-16-;