N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2-methylsulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2-methylsulfanyl-phenyl]ethanamide Openeye Name: N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2-methylsulfanyl-phenyl]acetamide CAS Name: N-[5-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-2-(methylthio)phenyl]acetamide IUPAC Name: N-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-2-methylsulfanylphenyl]acetamide Traditional Name: N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2-(methylthio)phenyl]acetamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-9-16(20(23)24)10(2)19(18-9)8-14(22)12-5-6-15(25-4)13(7-12)17-11(3)21/h5-7H,8H2,1-4H3,(H,17,21)