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

Systemtic Name: 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H19N3O4S/c1-27-16-9-7-15(8-10-16)17-13-18(19-5-4-12-28-19)24(22-17)20(25)14-29-21-6-2-3-11-23(21)26/h2-12,18H,13-14H2,1H3