(E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]-N-thiazol-2-yl-acrylamide Formula: C21H14N6OS MolecularWeight: 398.44046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=C(C#N)C(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)/C=C(\C#N)/C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H14N6OS/c22-13-16(20(28)25-21-24-10-11-29-21)12-17-14-27(18-4-2-1-3-5-18)26-19(17)15-6-8-23-9-7-15/h1-12,14H,(H,24,25,28)/b16-12+