N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-1-ethylpyrazole-3-carboxamide Traditional Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-1-ethyl-pyrazole-3-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC(C)C)C#N

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC(C)C)C#N

InChI

InChI=1S/C21H22N4OS/c1-4-25-10-9-19(24-25)20(26)23-21-17(12-22)18(13-27-21)16-7-5-15(6-8-16)11-14(2)3/h5-10,13-14H,4,11H2,1-3H3,(H,23,26)