1-(1,3-dimethylpyrazol-4-yl)-3-[2-(4-fluoranylphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[2-(4-fluoranylphenoxy)ethanoylamino]thiourea Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[[2-(4-fluorophenoxy)acetyl]amino]thiourea CAS Name: 1-(1,3-dimethyl-4-pyrazolyl)-3-[[2-(4-fluorophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[[2-(4-fluorophenoxy)acetyl]amino]thiourea Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[[2-(4-fluorophenoxy)acetyl]amino]thiourea Formula: C14H16FN5O2S MolecularWeight: 337.372543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NNC(=O)COC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NNC(=O)COC2=CC=C(C=C2)F)C

InChI

InChI=1S/C14H16FN5O2S/c1-9-12(7-20(2)19-9)16-14(23)18-17-13(21)8-22-11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,23)