(5Z)-5-[2-methyl-1-(3-oxidanylpropyl)-6-(trifluoromethyl)pyridin-4-ylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[2-methyl-1-(3-oxidanylpropyl)-6-(trifluoromethyl)pyridin-4-ylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[1-(3-hydroxypropyl)-2-methyl-6-(trifluoromethyl)-4-pyridylidene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[1-(3-hydroxypropyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[1-(3-hydroxypropyl)-2-methyl-6-(trifluoromethyl)pyridin-4-ylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[1-(3-hydroxypropyl)-2-methyl-6-(trifluoromethyl)-4-pyridylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C14H13F3N3O3S- MolecularWeight: 360.33153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)NC(=S)N=C2[O-])C=C(N1CCCO)C(F)(F)F

Isomeric SMILES

CC1=C/C(=C\2/C(=O)NC(=S)N=C2[O-])/C=C(N1CCCO)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O3S/c1-7-5-8(10-11(22)18-13(24)19-12(10)23)6-9(14(15,16)17)20(7)3-2-4-21/h5-6,21H,2-4H2,1H3,(H2,18,19,22,23,24)/p-1