3-(4-cyanophenyl)-1-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 3-(4-cyanophenyl)-1-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 3-(4-cyanophenyl)-1-(2-pyridylmethyl)-1-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 3-(4-cyanophenyl)-1-(2-pyridinylmethyl)-1-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 3-(4-cyanophenyl)-1-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 3-(4-cyanophenyl)-1-(2-pyridylmethyl)-1-[4-(trifluoromethoxy)phenyl]thiourea Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=CC=C(C=C2)OC(F)(F)F)C(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=CC=C(C=C2)OC(F)(F)F)C(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15F3N4OS/c22-21(23,24)29-19-10-8-18(9-11-19)28(14-17-3-1-2-12-26-17)20(30)27-16-6-4-15(13-25)5-7-16/h1-12H,14H2,(H,27,30)