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

Systemtic Name: 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN5OS/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-13-20(28)24-25-21(29)23-19-11-7-6-10-18(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H2,23,25,29)