1-ethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-ethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-ethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-ethyl-3-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-ethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-ethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Formula: C13H13F3N4S MolecularWeight: 314.32933

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CC=N2

Isomeric SMILES

CCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CC=N2

InChI

InChI=1S/C13H13F3N4S/c1-2-17-12(21)19-10-8-9(13(14,15)16)4-5-11(10)20-7-3-6-18-20/h3-8H,2H2,1H3,(H2,17,19,21)