1-(3-bromanylpyridin-2-yl)-3-[2-(3-fluoranylpyridin-2-yl)ethyl]thiourea

Systemtic Name: 1-(3-bromanylpyridin-2-yl)-3-[2-(3-fluoranylpyridin-2-yl)ethyl]thiourea Openeye Name: 1-(3-bromo-2-pyridyl)-3-[2-(3-fluoro-2-pyridyl)ethyl]thiourea CAS Name: 1-(3-bromo-2-pyridinyl)-3-[2-(3-fluoro-2-pyridinyl)ethyl]thiourea IUPAC Name: 1-(3-bromopyridin-2-yl)-3-[2-(3-fluoropyridin-2-yl)ethyl]thiourea Traditional Name: 1-(3-bromo-2-pyridyl)-3-[2-(3-fluoro-2-pyridyl)ethyl]thiourea Formula: C13H12BrFN4S MolecularWeight: 355.228583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CCNC(=S)NC2=C(C=CC=N2)Br)F

Isomeric SMILES

C1=CC(=C(N=C1)CCNC(=S)NC2=C(C=CC=N2)Br)F

InChI

InChI=1S/C13H12BrFN4S/c14-9-3-1-7-17-12(9)19-13(20)18-8-5-11-10(15)4-2-6-16-11/h1-4,6-7H,5,8H2,(H2,17,18,19,20)