2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H16N4O2S/c1-9-13(10(2)16(3)15-9)14-11(18)8-20-12-6-4-5-7-17(12)19/h4-7H,8H2,1-3H3,(H,14,18)