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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H24N4O2S/c1-17-13-19(3)21(14-18(17)2)22-15-23(29(27-22)20-9-5-4-6-10-20)26-24(30)16-32-25-11-7-8-12-28(25)31/h4-15H,16H2,1-3H3,(H,26,30)