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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O3S/c1-7-5-11(10(4)20-7)12(17)6-15-9(3)13(16(18)19)8(2)14-15/h5H,6H2,1-4H3