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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(phenylthio)propyl]acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCCSC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCCSC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-12-16(20(22)23)13(2)19(18-12)11-15(21)17-9-6-10-24-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21)