1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[2-(4-bromo-1-pyrazolyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C13H12BrF3N4S MolecularWeight: 393.22539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCCN2C=C(C=N2)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCCN2C=C(C=N2)Br)C(F)(F)F

InChI

InChI=1S/C13H12BrF3N4S/c14-10-7-19-21(8-10)5-4-18-12(22)20-11-3-1-2-9(6-11)13(15,16)17/h1-3,6-8H,4-5H2,(H2,18,20,22)