N-(2,5-diphenylpyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c27-21(16-29-22-13-7-8-14-25(22)28)23-20-15-19(17-9-3-1-4-10-17)24-26(20)18-11-5-2-6-12-18/h1-15H,16H2,(H,23,27)