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

Systemtic Name: 3-bromanyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-benzohydrazide Openeye Name: 3-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]benzohydrazide CAS Name: 3-bromo-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]benzohydrazide IUPAC Name: 3-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]benzohydrazide Traditional Name: 3-bromo-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]benzohydrazide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2S/c1-13-10-14(2)24-21(23-13)29-12-15-6-8-16(9-7-15)19(27)25-26-20(28)17-4-3-5-18(22)11-17/h3-11H,12H2,1-2H3,(H,25,27)(H,26,28)