3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C20H19ClF3N5S MolecularWeight: 453.91157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCCN2C=CN=C2)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CCCN2C=CN=C2)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N5S/c21-17-5-4-16(20(22,23)24)11-18(17)27-19(30)29(13-15-3-1-6-25-12-15)9-2-8-28-10-7-26-14-28/h1,3-7,10-12,14H,2,8-9,13H2,(H,27,30)