1-(5-bromanylpyridin-2-yl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluorophenyl]ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluorophenyl]ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]ethyl]thiourea Formula: C17H17BrFN5S MolecularWeight: 422.317783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)