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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-thienylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(3-thiophenylmethylthio)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-thenylthio)phenyl]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SCC3=CSC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SCC3=CSC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-12-18(22(24)25)13(2)21(20-12)9-17(23)19-15-5-3-4-6-16(15)27-11-14-7-8-26-10-14/h3-8,10H,9,11H2,1-2H3,(H,19,23)