2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H16N4O2S/c22-16(13-24-17-8-4-5-9-21(17)23)18-10-14-11-19-20(12-14)15-6-2-1-3-7-15/h1-9,11-12H,10,13H2,(H,18,22)