1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[(5S)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-29-19-12-10-18(11-13-19)21-15-20(17-7-3-2-4-8-17)24-26(21)22(27)16-30-23-9-5-6-14-25(23)28/h2-15,21,24H,16H2,1H3/t21-/m0/s1