1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(4-fluorophenyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(4-fluorophenyl)thiourea Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(4-fluorophenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-(4-fluorophenyl)thiourea IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-(4-fluorophenyl)thiourea Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(4-fluorophenyl)thiourea Formula: C15H17FN6O3S MolecularWeight: 380.397283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17FN6O3S/c1-8-13(22(24)25)9(2)20(18-8)10(3)14(23)19-21(15(17)26)12-6-4-11(16)5-7-12/h4-7,10H,1-3H3,(H2,17,26)(H,19,23)