N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N5O3S/c1-3-7-6(2)21-12(8(7)4-13)15-11(18)10-9(17(19)20)5-14-16-10/h5H,3H2,1-2H3,(H,14,16)(H,15,18)