(E)-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium

Systemtic Name: (E)-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Openeye Name: (E)-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium CAS Name: (E)-[5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium IUPAC Name: (E)-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium Traditional Name: (E)-[5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(N=C1C)S)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-].C1COCC[NH2+]1

Isomeric SMILES

CCO/C(=C/1\C(C(=C(N=C1C)S)C#N)C2=CC=CC=C2[N+](=O)[O-])/[O-].C1COCC[NH2+]1

InChI

InChI=1S/C16H15N3O4S.C4H9NO/c1-3-23-16(20)13-9(2)18-15(24)11(8-17)14(13)10-6-4-5-7-12(10)19(21)22;1-3-6-4-2-5-1/h4-7,14,20,24H,3H2,1-2H3;5H,1-4H2/b16-13-;