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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)SC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-9-14(18(20)21)10(2)17(16-9)8-13(19)15-11-5-4-6-12(7-11)22-3/h4-7H,8H2,1-3H3,(H,15,19)