N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-13-11-15(21(19-13)14-7-3-2-4-8-14)18-16(22)12-24-17-9-5-6-10-20(17)23/h2-11H,12H2,1H3,(H,18,22)