(5Z)-1-(3-methoxyphenyl)-5-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(3-methoxyphenyl)-5-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(3-methoxyphenyl)-5-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(3-methoxyphenyl)-5-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(3-methoxyphenyl)-5-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-5-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methylene]-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-4-olate Formula: C22H17N4O4S- MolecularWeight: 433.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=C2C(=NC(=S)N(C2=O)C3=CC(=CC=C3)OC)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@H]1/C=C\2/C(=NC(=S)N(C2=O)C3=CC(=CC=C3)OC)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-13-17(21(29)26(24-13)14-7-4-3-5-8-14)12-18-19(27)23-22(31)25(20(18)28)15-9-6-10-16(11-15)30-2/h3-12,17H,1-2H3,(H,23,27,31)/p-1/b18-12-/t17-/m0/s1