(Z)-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-phenylazanyl-methanolate; 4-methylmorpholin-4-ium

Systemtic Name: (Z)-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-phenylazanyl-methanolate; 4-methylmorpholin-4-ium Openeye Name: (Z)-anilino-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium CAS Name: (Z)-anilino-[5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium IUPAC Name: (Z)-anilino-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium Traditional Name: (Z)-anilino-[5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(NC2=CC=CC=C2)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C#N)S.C[NH+]1CCOCC1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(\NC2=CC=CC=C2)/[O-])C3=CC(=CC=C3)[N+](=O)[O-])C#N)S.C[NH+]1CCOCC1

InChI

InChI=1S/C20H16N4O3S.C5H11NO/c1-12-17(19(25)23-14-7-3-2-4-8-14)18(16(11-21)20(28)22-12)13-6-5-9-15(10-13)24(26)27;1-6-2-4-7-5-3-6/h2-10,18,23,25,28H,1H3;2-5H2,1H3/b19-17+;