1-(4-bromanyl-2-fluoranyl-phenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]thiourea Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-1-[[3-(3-pyridyl)-4,5-dihydroisoxazole-5-carbonyl]amino]thiourea CAS Name: 1-(4-bromo-2-fluorophenyl)-1-[[oxo-[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]thiourea IUPAC Name: 1-(4-bromo-2-fluorophenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]thiourea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-1-[[3-(3-pyridyl)-2-isoxazoline-5-carbonyl]amino]thiourea Formula: C16H13BrFN5O2S MolecularWeight: 438.274123

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)C(=O)NN(C3=C(C=C(C=C3)Br)F)C(=S)N

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)C(=O)NN(C3=C(C=C(C=C3)Br)F)C(=S)N

InChI

InChI=1S/C16H13BrFN5O2S/c17-10-3-4-13(11(18)6-10)23(16(19)26)21-15(24)14-7-12(22-25-14)9-2-1-5-20-8-9/h1-6,8,14H,7H2,(H2,19,26)(H,21,24)