(E)-3-[(2-bromanyl-4-fluoranyl-phenyl)amino]sulfanyl-2-cyclopropylcarbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-[(2-bromanyl-4-fluoranyl-phenyl)amino]sulfanyl-2-cyclopropylcarbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-(2-bromo-4-fluoro-anilino)sulfanyl-2-(cyclopropanecarbonyl)-3-hydroxy-prop-2-enenitrile CAS Name: (E)-N-(2-bromo-4-fluorophenyl)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxo-1-propene-1-sulfenamide IUPAC Name: (E)-3-(2-bromo-4-fluoroanilino)sulfanyl-2-(cyclopropanecarbonyl)-3-hydroxyprop-2-enenitrile Traditional Name: (E)-3-[(2-bromo-4-fluoro-anilino)thio]-2-(cyclopropanecarbonyl)-3-hydroxy-acrylonitrile Formula: C13H10BrFN2O2S MolecularWeight: 357.198103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(O)SNC2=C(C=C(C=C2)F)Br)C#N

Isomeric SMILES

C1CC1C(=O)/C(=C(\O)/SNC2=C(C=C(C=C2)F)Br)/C#N

InChI

InChI=1S/C13H10BrFN2O2S/c14-10-5-8(15)3-4-11(10)17-20-13(19)9(6-16)12(18)7-1-2-7/h3-5,7,17,19H,1-2H2/b13-9+