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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-methylsulfonylphenyl)carbonyl-benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-methylsulfonylbenzoyl)benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[(4-methylsulfonylphenyl)-oxomethyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-methylsulfonylbenzoyl)benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-(4-mesylbenzoyl)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=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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