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

Systemtic Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-3-pyrazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[5-(2,5-dimethylphenyl)-2-phenylpyrazol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S/c1-17-11-12-18(2)20(14-17)21-15-22(28(26-21)19-8-4-3-5-9-19)25-23(29)16-31-24-10-6-7-13-27(24)30/h3-15H,16H2,1-2H3,(H,25,29)