N-(5-bromanyl-2-oxidanyl-phenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C12H11BrN4O4S MolecularWeight: 387.20914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NC2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NC2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11BrN4O4S/c1-6-11(17(20)21)12(16-15-6)22-5-10(19)14-8-4-7(13)2-3-9(8)18/h2-4,18H,5H2,1H3,(H,14,19)(H,15,16)