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

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H15N3O3S/c1-12-5-7-13(8-6-12)14-10-16(23-19-14)18-15(21)11-24-17-4-2-3-9-20(17)22/h2-10H,11H2,1H3,(H,18,21)