1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-ethyl-5-methyl-4-pyrazolyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C14H15F3N4S MolecularWeight: 328.35591

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C

InChI

InChI=1S/C14H15F3N4S/c1-3-21-9(2)12(8-18-21)20-13(22)19-11-7-5-4-6-10(11)14(15,16)17/h4-8H,3H2,1-2H3,(H2,19,20,22)