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

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-thiazol-2-yl-acrylamide Formula: C22H16N6OS MolecularWeight: 412.46704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)NC4=NC=CS4

InChI

InChI=1S/C22H16N6OS/c23-12-18(21(29)26-22-25-9-10-30-22)11-19-15-28(14-16-5-2-1-3-6-16)27-20(19)17-7-4-8-24-13-17/h1-11,13,15H,14H2,(H,25,26,29)/b18-11+