N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-methylsulfonyl-benzohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-methylsulfonyl-benzohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-methylsulfonyl-benzohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-methylsulfonylbenzohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-methylsulfonylbenzohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-3-mesyl-benzohydrazide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S2/c1-14-11-15(2)24-22(23-14)31-13-16-7-9-17(10-8-16)20(27)25-26-21(28)18-5-4-6-19(12-18)32(3,29)30/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)