1-(3-ethoxyphenyl)-5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 1-(3-ethoxyphenyl)-5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 1-(3-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 1-(3-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 1-(3-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-1-m-phenetyl-2-thioxo-pyrimidine-4,6-diolate Formula: C23H18N4O4S-2 MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=C(C(=NC2=S)[O-])C=C3C(=NN(C3=O)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=C(C(=NC2=S)[O-])C=C3C(=NN(C3=O)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-3-31-17-11-7-10-16(12-17)26-21(29)19(20(28)24-23(26)32)13-18-14(2)25-27(22(18)30)15-8-5-4-6-9-15/h4-13,29H,3H2,1-2H3,(H,24,28,32)/p-2