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

Systemtic Name: 1-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1-(4-fluorophenyl)thiourea Openeye Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea CAS Name: 1-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1-(4-fluorophenyl)thiourea IUPAC Name: 1-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea Traditional Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea Formula: C13H13FN6O3S MolecularWeight: 352.344123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)C

InChI

InChI=1S/C13H13FN6O3S/c1-7-10(20(22)23)11(18(2)16-7)12(21)17-19(13(15)24)9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H2,15,24)(H,17,21)