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

Systemtic Name: 5-cyclopropyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-1,2-oxazole-3-carbohydrazide Openeye Name: 5-cyclopropyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]isoxazole-3-carbohydrazide CAS Name: 5-cyclopropyl-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-isoxazolecarbohydrazide IUPAC Name: 5-cyclopropyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-1,2-oxazole-3-carbohydrazide Traditional Name: 5-cyclopropyl-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]isoxazole-3-carbohydrazide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=NOC(=C3)C4CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=NOC(=C3)C4CC4)C

InChI

InChI=1S/C21H21N5O3S/c1-12-9-13(2)23-21(22-12)30-11-14-3-5-16(6-4-14)19(27)24-25-20(28)17-10-18(29-26-17)15-7-8-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,24,27)(H,25,28)