(5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)-4-pyrazolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C23H16N5O2S- MolecularWeight: 426.47044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C4C(=O)NC(=S)N=C4[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3/C=C/4\C(=O)NC(=S)N=C4[O-])CCC#N

InChI

InChI=1S/C23H17N5O2S/c24-11-4-12-28-14-18(13-19-21(29)25-23(31)26-22(19)30)20(27-28)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,12H2,(H2,25,26,29,30,31)/p-1