1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H18BrF3N4S MolecularWeight: 435.30513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=CC=CC=C2C(F)(F)F)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=CC=CC=C2C(F)(F)F)C)Br

InChI

InChI=1S/C16H18BrF3N4S/c1-10-14(17)11(2)24(23-10)9-5-8-21-15(25)22-13-7-4-3-6-12(13)16(18,19)20/h3-4,6-7H,5,8-9H2,1-2H3,(H2,21,22,25)