4-[[2-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C23H22N4O4S/c1-15-11-16(2)26-23(25-15)32-14-21(28)27-24-12-19-5-3-4-6-20(19)31-13-17-7-9-18(10-8-17)22(29)30/h3-12H,13-14H2,1-2H3,(H,27,28)(H,29,30)/b24-12+