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

Systemtic Name: 3-[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-ethoxyphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]-2-cyano-thioacrylamide Formula: C16H12ClFN4O2S MolecularWeight: 378.808483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC2=NC(=NC=C2F)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC2=NC(=NC=C2F)Cl

InChI

InChI=1S/C16H12ClFN4O2S/c1-2-23-13-6-9(5-10(7-19)14(20)25)3-4-12(13)24-15-11(18)8-21-16(17)22-15/h3-6,8H,2H2,1H3,(H2,20,25)