1-(3-chloranyl-4-fluoranyl-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C14H16ClFN4S MolecularWeight: 326.820043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C14H16ClFN4S/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-10-5-6-12(16)11(15)7-10/h5-7H,4H2,1-3H3,(H2,17,18,21)