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

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(2-pyridylmethyl)thiourea CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(2-pyridylmethyl)thiourea Formula: C19H19ClF3N3S MolecularWeight: 413.88747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3S/c20-17-9-8-13(11-16(17)19(21,22)23)25-18(27)26(15-6-1-2-7-15)12-14-5-3-4-10-24-14/h3-5,8-11,15H,1-2,6-7,12H2,(H,25,27)