N-(2-cyclopentylpyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H18N4O2S/c20-14(11-22-15-7-3-4-10-18(15)21)17-13-8-9-16-19(13)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,17,20)