1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3-chlorophenyl)thiourea

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3-chlorophenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chlorophenyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chlorophenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chlorophenyl)thiourea Formula: C17H13ClF6N2O2S MolecularWeight: 458.805739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C17H13ClF6N2O2S/c18-10-2-1-3-11(4-10)25-15(29)26-12-5-13(27-8-16(19,20)21)7-14(6-12)28-9-17(22,23)24/h1-7H,8-9H2,(H2,25,26,29)