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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCSCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCSCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

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