N-(2-methylsulfanylphenyl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide Openeye Name: 5-isopropyl-N-(2-methylsulfanylphenyl)-4-nitro-isoxazole-3-carboxamide CAS Name: N-[2-(methylthio)phenyl]-4-nitro-5-propan-2-yl-3-isoxazolecarboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide Traditional Name: 5-isopropyl-N-[2-(methylthio)phenyl]-4-nitro-isoxazole-3-carboxamide Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NO1)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NO1)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-8(2)13-12(17(19)20)11(16-21-13)14(18)15-9-6-4-5-7-10(9)22-3/h4-8H,1-3H3,(H,15,18)