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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S/c1-10-15(20(22)23)11(2)19(18-10)9-14(21)17-12-5-3-4-6-13(12)24-8-7-16/h3-6H,8-9H2,1-2H3,(H,17,21)