3-[3-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[3-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-(2-chloro-5-fluoro-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]phenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-(2-chloro-5-fluoro-pyrimidin-4-yl)oxyphenyl]-2-cyano-thioacrylamide Formula: C14H8ClFN4OS MolecularWeight: 334.755923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=NC=C2F)Cl)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=NC=C2F)Cl)C=C(C#N)C(=S)N

InChI

InChI=1S/C14H8ClFN4OS/c15-14-19-7-11(16)13(20-14)21-10-3-1-2-8(5-10)4-9(6-17)12(18)22/h1-5,7H,(H2,18,22)