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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=NN(C=C3)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=NN(C=C3)CC

InChI

InChI=1S/C21H22N4OS/c1-3-5-6-15-7-9-16(10-8-15)18-14-27-21(17(18)13-22)23-20(26)19-11-12-25(4-2)24-19/h7-12,14H,3-6H2,1-2H3,(H,23,26)