(E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]acrylamide Formula: C21H16FN5OS MolecularWeight: 405.448043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)F)/C#N)C

InChI

InChI=1S/C21H16FN5OS/c1-3-17-12(2)29-21(18(17)10-24)26-20(28)14(9-23)8-15-11-25-27-19(15)13-4-6-16(22)7-5-13/h4-8,11H,3H2,1-2H3,(H,25,27)(H,26,28)/b14-8+