1-[(E)-3-(3-fluoranyl-2-prop-2-ynylsulfanyl-phenyl)prop-2-enyl]-1-oxidanyl-urea

Systemtic Name: 1-[(E)-3-(3-fluoranyl-2-prop-2-ynylsulfanyl-phenyl)prop-2-enyl]-1-oxidanyl-urea Openeye Name: 1-[(E)-3-(3-fluoro-2-prop-2-ynylsulfanyl-phenyl)allyl]-1-hydroxy-urea CAS Name: 1-[(E)-3-[3-fluoro-2-(prop-2-ynylthio)phenyl]prop-2-enyl]-1-hydroxyurea IUPAC Name: 1-[(E)-3-(3-fluoro-2-prop-2-ynylsulfanylphenyl)prop-2-enyl]-1-hydroxyurea Traditional Name: 1-[(E)-3-[3-fluoro-2-(propargylthio)phenyl]allyl]-1-hydroxy-urea Formula: C13H13FN2O2S MolecularWeight: 280.317923

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C=CC=C1F)C=CCN(C(=O)N)O

Isomeric SMILES

C#CCSC1=C(C=CC=C1F)/C=C/CN(C(=O)N)O

InChI

InChI=1S/C13H13FN2O2S/c1-2-9-19-12-10(5-3-7-11(12)14)6-4-8-16(18)13(15)17/h1,3-7,18H,8-9H2,(H2,15,17)/b6-4+