N'-butanoyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide

Systemtic Name: N'-butanoyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Openeye Name: N'-butanoyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-(1-oxobutyl)benzohydrazide IUPAC Name: N'-butanoyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Traditional Name: N'-butyryl-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzohydrazide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H22N4O2S/c1-4-5-16(23)21-22-17(24)15-8-6-14(7-9-15)11-25-18-19-12(2)10-13(3)20-18/h6-10H,4-5,11H2,1-3H3,(H,21,23)(H,22,24)