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

Systemtic Name: (2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H18N4O2S/c1-9-13(10(2)17(4)16-9)15-14(19)11(3)21-12-7-5-6-8-18(12)20/h5-8,11H,1-4H3,(H,15,19)/t11-/m0/s1