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

Systemtic Name: 1-phenethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-phenethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-phenethyl-3-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-phenethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-phenethyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Formula: C19H17F3N4S MolecularWeight: 390.42529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

InChI

InChI=1S/C19H17F3N4S/c20-19(21,22)15-7-8-17(26-12-4-10-24-26)16(13-15)25-18(27)23-11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H2,23,25,27)