1-(5-bromanylpyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluoranyl-phenyl)ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluoranyl-phenyl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-cyano-3-ethoxy-6-fluoro-phenyl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-cyano-3-ethoxy-6-fluoro-phenyl)ethyl]thiourea Formula: C17H16BrFN4OS MolecularWeight: 423.302543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N

Isomeric SMILES

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N

InChI

InChI=1S/C17H16BrFN4OS/c1-2-24-15-5-4-14(19)12(13(15)9-20)7-8-21-17(25)23-16-6-3-11(18)10-22-16/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)