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

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-nitrophenyl)thiourea Formula: C17H13F6N3O4S MolecularWeight: 469.358239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F6N3O4S/c18-16(19,20)8-29-13-5-11(6-14(7-13)30-9-17(21,22)23)25-15(31)24-10-1-3-12(4-2-10)26(27)28/h1-7H,8-9H2,(H2,24,25,31)