N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-4-chloranyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-4-chloranyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-4-chloro-2-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-4-chloro-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]-4-chloro-2-methylpyrazole-3-carboxamide Traditional Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-4-chloro-2-methyl-pyrazole-3-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=C(C=NN3C)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=C(C=NN3C)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-3-4-5-13-6-8-14(9-7-13)16-12-27-20(15(16)10-22)24-19(26)18-17(21)11-23-25(18)2/h6-9,11-12H,3-5H2,1-2H3,(H,24,26)