(5E)-5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5E)-5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5E)-5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5E)-5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5E)-5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-3-thiazolin-4-olate Formula: C23H18N3O2S2- MolecularWeight: 432.53792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=NC(=S)S3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2/C=C/3\C(=NC(=S)S3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S2/c1-3-11-28-18-9-10-19(15(2)12-18)21-16(13-20-22(27)24-23(29)30-20)14-26(25-21)17-7-5-4-6-8-17/h3-10,12-14H,1,11H2,2H3,(H,24,27,29)/p-1/b20-13+