N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-17-10-12-18(13-11-17)20-15-21(27(25-20)19-7-3-2-4-8-19)24-22(28)16-30-23-9-5-6-14-26(23)29/h2-15H,16H2,1H3,(H,24,28)