1-[2,4-bis(fluoranyl)phenyl]-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea CAS Name: 1-(2,4-difluorophenyl)-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(2,4-difluorophenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C14H16F2N4S MolecularWeight: 310.365446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F2N4S/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-12-6-5-10(15)7-11(12)16/h5-7H,4H2,1-3H3,(H2,17,18,21)