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

Systemtic Name: 2-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C16H16N4O3S/c1-10-7-11(2)19-16(18-10)24-9-14(21)20-17-8-12-5-3-4-6-13(12)15(22)23/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23)/b17-8+