2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SCC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SCC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-4-9-24-14-8-6-5-7-13(14)17-15(21)10-19-12(3)16(20(22)23)11(2)18-19/h4-8H,1,9-10H2,2-3H3,(H,17,21)