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

Systemtic Name: 3-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopropyl-1-(4-pyridylmethyl)thiourea Formula: C17H15ClF3N3S MolecularWeight: 385.83431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClF3N3S/c18-12-1-4-15(14(9-12)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)