5-bromanyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-pyridine-3-carbohydrazide

Systemtic Name: 5-bromanyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-pyridine-3-carbohydrazide Openeye Name: 5-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]pyridine-3-carbohydrazide CAS Name: 5-bromo-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-pyridinecarbohydrazide IUPAC Name: 5-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]pyridine-3-carbohydrazide Traditional Name: 5-bromo-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]nicotinohydrazide Formula: C20H18BrN5O2S MolecularWeight: 472.35822

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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(=CN=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O2S/c1-12-7-13(2)24-20(23-12)29-11-14-3-5-15(6-4-14)18(27)25-26-19(28)16-8-17(21)10-22-9-16/h3-10H,11H2,1-2H3,(H,25,27)(H,26,28)