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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-ethylthiophen-2-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-ethyl-2-thienyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(5-ethyl-2-thiophenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(5-ethylthiophen-2-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-ethyl-2-thienyl)ethanone Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(S1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O3S/c1-4-10-5-6-12(20-10)11(17)7-15-9(3)13(16(18)19)8(2)14-15/h5-6H,4,7H2,1-3H3