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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(4-fluorophenyl)thiourea Formula: C15H17BrFN5OS MolecularWeight: 414.295783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)F)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)F)C)Br

InChI

InChI=1S/C15H17BrFN5OS/c1-9-14(16)10(2)22(21-9)8-7-13(23)19-20-15(24)18-12-5-3-11(17)4-6-12/h3-6H,7-8H2,1-2H3,(H,19,23)(H2,18,20,24)