5-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethylidene]-1-(2-methoxyethyl)-2-thioxo-pyrimidin-4-olate Formula: C20H22N5O4S- MolecularWeight: 428.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C3C(=NC(=S)N(C3=O)CCOC)[O-])C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C3C(=NC(=S)N(C3=O)CCOC)[O-])C

InChI

InChI=1S/C20H23N5O4S/c1-12(15-17(26)22-20(30)24(18(15)27)10-11-29-4)21-16-13(2)23(3)25(19(16)28)14-8-6-5-7-9-14/h5-9,21H,10-11H2,1-4H3,(H,22,26,30)/p-1