4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide

Systemtic Name: 4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide Openeye Name: 4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide CAS Name: 4-cyano-N,N-diethyl-3-methyl-5-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-thiophenecarboxamide IUPAC Name: 4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide Traditional Name: 4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H20N6O4S/c1-4-21(5-2)17(25)15-11(3)13(8-18)16(28-15)20-14(24)6-7-22-10-12(9-19-22)23(26)27/h9-10H,4-7H2,1-3H3,(H,20,24)