3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-[(2-chloro-6-fluoro-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-(2-chloro-6-fluoro-benzyl)oxy-4-methoxy-phenyl]-2-cyano-thioacrylamide Formula: C18H14ClFN2O2S MolecularWeight: 376.832363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=S)N)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=S)N)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H14ClFN2O2S/c1-23-16-6-5-11(7-12(9-21)18(22)25)8-17(16)24-10-13-14(19)3-2-4-15(13)20/h2-8H,10H2,1H3,(H2,22,25)