1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C18H16N3O2S2+ MolecularWeight: 370.46854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)C[N+]3=CC=CC(=C3)O)C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)C[N+]3=CC=CC(=C3)O)C4=CC=CS4

InChI

InChI=1S/C18H15N3O2S2/c22-13-4-1-7-20(11-13)12-18(23)21-15(17-6-3-9-25-17)10-14(19-21)16-5-2-8-24-16/h1-9,11,15H,10,12H2/p+1/t15-/m1/s1