N'-(5-bromanyl-2-oxidanylidene-indol-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide

Systemtic Name: N'-(5-bromanyl-2-oxidanylidene-indol-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Openeye Name: N'-(5-bromo-2-oxo-indol-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide CAS Name: N'-(5-bromo-2-oxo-3-indolyl)-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzohydrazide IUPAC Name: N'-(5-bromo-2-oxoindol-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Traditional Name: N'-(5-bromo-2-keto-indol-3-yl)-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzohydrazide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)Br)C

InChI

InChI=1S/C22H18BrN5O2S/c1-12-9-13(2)25-22(24-12)31-11-14-3-5-15(6-4-14)20(29)28-27-19-17-10-16(23)7-8-18(17)26-21(19)30/h3-10H,11H2,1-2H3,(H,28,29)(H,26,27,30)