(E)-N-butyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-butyl-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-butyl-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-butyl-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H20N4OS/c1-2-3-11-23-21(26)16(14-22)13-17-15-25(18-8-5-4-6-9-18)24-20(17)19-10-7-12-27-19/h4-10,12-13,15H,2-3,11H2,1H3,(H,23,26)/b16-13+