N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C19H20N4O2S/c1-13-7-9-16(10-8-13)23-15(3)19(14(2)21-23)20-17(24)12-26-18-6-4-5-11-22(18)25/h4-11H,12H2,1-3H3,(H,20,24)