1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3,4-dichlorophenyl)thiourea

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3,4-dichlorophenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,4-dichlorophenyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,4-dichlorophenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,4-dichlorophenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,4-dichlorophenyl)thiourea Formula: C17H12Cl2F6N2O2S MolecularWeight: 493.250799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl)Cl

InChI

InChI=1S/C17H12Cl2F6N2O2S/c18-13-2-1-9(5-14(13)19)26-15(30)27-10-3-11(28-7-16(20,21)22)6-12(4-10)29-8-17(23,24)25/h1-6H,7-8H2,(H2,26,27,30)