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

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(cyclopentylthio)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-12-18(22(24)25)13(2)21(20-12)11-17(23)19-15-9-5-6-10-16(15)26-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,19,23)