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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[2-(2-nitrophenyl)ethanoyl]benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[2-(2-nitrophenyl)-1-oxoethyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O4S/c1-14-11-15(2)24-22(23-14)32-13-16-7-9-17(10-8-16)21(29)26-25-20(28)12-18-5-3-4-6-19(18)27(30)31/h3-11H,12-13H2,1-2H3,(H,25,28)(H,26,29)