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

Systemtic Name: 3-(4-cyanophenyl)-1-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]thiourea Openeye Name: 3-(4-cyanophenyl)-1-(2-pyridylmethyl)-1-[4-(trifluoromethyl)phenyl]thiourea CAS Name: 3-(4-cyanophenyl)-1-(2-pyridinylmethyl)-1-[4-(trifluoromethyl)phenyl]thiourea IUPAC Name: 3-(4-cyanophenyl)-1-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]thiourea Traditional Name: 3-(4-cyanophenyl)-1-(2-pyridylmethyl)-1-[4-(trifluoromethyl)phenyl]thiourea Formula: C21H15F3N4S MolecularWeight: 412.43081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N4S/c22-21(23,24)16-6-10-19(11-7-16)28(14-18-3-1-2-12-26-18)20(29)27-17-8-4-15(13-25)5-9-17/h1-12H,14H2,(H,27,29)