1-(3-chloranyl-4-fluoranyl-phenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C15H16ClFN6O3S MolecularWeight: 414.842343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NN(C2=CC(=C(C=C2)F)Cl)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN(C2=CC(=C(C=C2)F)Cl)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClFN6O3S/c1-8-14(23(25)26)9(2)21(19-8)6-5-13(24)20-22(15(18)27)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H2,18,27)(H,20,24)