N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H20N4O4S/c1-13-9-14(2)24-22(23-13)31-11-15-3-5-16(6-4-15)20(27)25-26-21(28)17-7-8-18-19(10-17)30-12-29-18/h3-10H,11-12H2,1-2H3,(H,25,27)(H,26,28)