N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(4-nitrobenzyl)thio]acetamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-9-6-12(15-20-9)14-13(17)8-21-7-10-2-4-11(5-3-10)16(18)19/h2-6H,7-8H2,1H3,(H,14,15,17)