N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-3-pyrazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c30-24(17-32-25-11-4-5-14-28(25)31)26-23-16-22(27-29(23)21-9-2-1-3-10-21)20-13-12-18-7-6-8-19(18)15-20/h1-5,9-16H,6-8,17H2,(H,26,30)