2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C13H14BrN5O4S MolecularWeight: 416.25036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C

InChI

InChI=1S/C13H14BrN5O4S/c1-5-7(3)24-13(9(5)11(15)21)16-8(20)4-18-6(2)10(14)12(17-18)19(22)23/h4H2,1-3H3,(H2,15,21)(H,16,20)