N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H21N5O3S/c1-5-16-14(4)30-21(18(16)10-22)23-20(27)17-9-7-6-8-15(17)11-25-13(3)19(26(28)29)12(2)24-25/h6-9H,5,11H2,1-4H3,(H,23,27)