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

Systemtic Name: 1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea Formula: C13H13ClFN5OS MolecularWeight: 341.791623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NC2=CC=C(C=C2)F)C

InChI

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