4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)butyramide Formula: C16H18BrN5O3S MolecularWeight: 440.31482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C

InChI

InChI=1S/C16H18BrN5O3S/c1-4-11-10(3)26-16(12(11)8-18)19-13(23)6-5-7-21-9(2)14(17)15(20-21)22(24)25/h4-7H2,1-3H3,(H,19,23)