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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(3-thiophenylmethylthio)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-thenylthio)ethyl]acetamide Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S2/c1-10-14(18(20)21)11(2)17(16-10)7-13(19)15-4-6-23-9-12-3-5-22-8-12/h3,5,8H,4,6-7,9H2,1-2H3,(H,15,19)