3-[5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-4,6-bis(oxidanidyl)-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: 3-[5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-4,6-bis(oxidanidyl)-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: 3-[5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-4,6-dioxido-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 3-[5-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-4,6-dioxido-2-sulfanylidene-1-pyrimidinyl]benzoate IUPAC Name: 3-[5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-4,6-dioxido-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 3-[5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-4,6-dioxido-2-thioxo-pyrimidin-1-yl]benzoate Formula: C22H13N4O5S-3 MolecularWeight: 445.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(N(C(=S)N=C2[O-])C3=CC=CC(=C3)C(=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(N(C(=S)N=C2[O-])C3=CC=CC(=C3)C(=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O5S/c1-12-16(20(29)26(24-12)14-7-3-2-4-8-14)11-17-18(27)23-22(32)25(19(17)28)15-9-5-6-13(10-15)21(30)31/h2-11,28H,1H3,(H,30,31)(H,23,27,32)/p-3