N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C15H20N4O2S/c1-12-10-13(2)18(17-12)8-5-7-16-14(20)11-22-15-6-3-4-9-19(15)21/h3-4,6,9-10H,5,7-8,11H2,1-2H3,(H,16,20)