1-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-25(18-32-26-12-6-7-15-28(26)31)29-24(20-9-2-1-3-10-20)17-23(27-29)22-14-13-19-8-4-5-11-21(19)16-22/h1-16,24H,17-18H2