3-[3-chloranyl-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-[3-chloranyl-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(4-pyridylmethyl)thiourea Formula: C17H15ClF3N3S MolecularWeight: 385.83431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=NC=C2)C(=S)NC3=CC(=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CC1N(CC2=CC=NC=C2)C(=S)NC3=CC(=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H15ClF3N3S/c18-15-9-12(1-4-14(15)17(19,20)21)23-16(25)24(13-2-3-13)10-11-5-7-22-8-6-11/h1,4-9,13H,2-3,10H2,(H,23,25)