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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O3S/c1-11-4-6-14(7-5-11)24-9-8-17-15(21)10-19-13(3)16(20(22)23)12(2)18-19/h4-7H,8-10H2,1-3H3,(H,17,21)