N'-[2-(4-bromanylphenoxy)ethanoyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide

Systemtic Name: N'-[2-(4-bromanylphenoxy)ethanoyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Openeye Name: N'-[2-(4-bromophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide CAS Name: N'-[2-(4-bromophenoxy)-1-oxoethyl]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzohydrazide IUPAC Name: N'-[2-(4-bromophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Traditional Name: N'-[2-(4-bromophenoxy)acetyl]-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzohydrazide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H21BrN4O3S/c1-14-11-15(2)25-22(24-14)31-13-16-3-5-17(6-4-16)21(29)27-26-20(28)12-30-19-9-7-18(23)8-10-19/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,29)