N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H17N3O3S/c1-14(2,3)10-8-12(20-16-10)15-11(18)9-21-13-6-4-5-7-17(13)19/h4-8H,9H2,1-3H3,(H,15,18)