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

Systemtic Name: 1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-1-(4-fluorophenyl)thiourea Openeye Name: 1-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea CAS Name: 1-[[(4-chloro-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-1-(4-fluorophenyl)thiourea IUPAC Name: 1-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea Traditional Name: 1-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-1-(4-fluorophenyl)thiourea Formula: C13H13ClFN5OS MolecularWeight: 341.791623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NN(C2=CC=C(C=C2)F)C(=S)N)Cl

InChI

InChI=1S/C13H13ClFN5OS/c1-7-10(14)11(17-19(7)2)12(21)18-20(13(16)22)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H2,16,22)(H,18,21)