1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]thiourea Formula: C12H10ClFN6O3S MolecularWeight: 372.762603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClFN6O3S/c1-19-5-9(20(22)23)10(18-19)11(21)16-17-12(24)15-6-2-3-8(14)7(13)4-6/h2-5H,1H3,(H,16,21)(H2,15,17,24)