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

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-ethanamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-ethylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylacetamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-acetamide Formula: C14H17BrN4O3S MolecularWeight: 401.27878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O3S/c1-4-17(7-11-5-6-12(15)23-11)13(20)8-18-10(3)14(19(21)22)9(2)16-18/h5-6H,4,7-8H2,1-3H3