1-(2-cyanoethyl)-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-cyanoethyl)-1-[2-(2-pyridyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-cyanoethyl)-1-[2-(2-pyridinyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-cyanoethyl)-1-[2-(2-pyridyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C18H17F3N4S MolecularWeight: 378.41459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN(CCC#N)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CCN(CCC#N)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N4S/c19-18(20,21)14-5-3-7-16(13-14)24-17(26)25(11-4-9-22)12-8-15-6-1-2-10-23-15/h1-3,5-7,10,13H,4,8,11-12H2,(H,24,26)