4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[3-(3-thienyl)propanoyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[1-oxo-3-(3-thiophenyl)propyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-[3-(3-thienyl)propanoyl]benzohydrazide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CCC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CCC3=CSC=C3)C

InChI

InChI=1S/C21H22N4O2S2/c1-14-11-15(2)23-21(22-14)29-13-16-3-6-18(7-4-16)20(27)25-24-19(26)8-5-17-9-10-28-12-17/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,24,26)(H,25,27)