(Z)-[5-cyano-6-sulfanylidene-2-(trifluoromethyl)pyridin-3-ylidene]-thiophen-2-yl-methanolate; 4-methylmorpholin-4-ium

Systemtic Name: (Z)-[5-cyano-6-sulfanylidene-2-(trifluoromethyl)pyridin-3-ylidene]-thiophen-2-yl-methanolate; 4-methylmorpholin-4-ium Openeye Name: (Z)-[5-cyano-6-thioxo-2-(trifluoromethyl)-3-pyridylidene]-(2-thienyl)methanolate; 4-methylmorpholin-4-ium CAS Name: (Z)-[5-cyano-6-sulfanylidene-2-(trifluoromethyl)-3-pyridinylidene]-thiophen-2-ylmethanolate; 4-methylmorpholin-4-ium IUPAC Name: (Z)-[5-cyano-6-sulfanylidene-2-(trifluoromethyl)pyridin-3-ylidene]-thiophen-2-ylmethanolate; 4-methylmorpholin-4-ium Traditional Name: (Z)-[5-cyano-6-thioxo-2-(trifluoromethyl)-3-pyridylidene]-(2-thienyl)methanolate; 4-methylmorpholin-4-ium Formula: C17H16F3N3O2S2 MolecularWeight: 415.45305

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1=CSC(=C1)C(=C2C=C(C(=S)N=C2C(F)(F)F)C#N)[O-]

Isomeric SMILES

C[NH+]1CCOCC1.C1=CSC(=C1)/C(=C/2\C=C(C(=S)N=C2C(F)(F)F)C#N)/[O-]

InChI

InChI=1S/C12H5F3N2OS2.C5H11NO/c13-12(14,15)10-7(4-6(5-16)11(19)17-10)9(18)8-2-1-3-20-8;1-6-2-4-7-5-3-6/h1-4,18H;2-5H2,1H3/b9-7-;