2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC2C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCC2C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-10-15(19(21)22)11(2)18(16-10)9-14(20)17-7-3-5-12(17)13-6-4-8-23-13/h4,6,8,12H,3,5,7,9H2,1-2H3