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

Systemtic Name: 1-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-phenyl-thiourea Openeye Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-phenyl-thiourea CAS Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-phenylthiourea IUPAC Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-phenylthiourea Traditional Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-phenyl-thiourea Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N3O3S/c16-15(17,18)9-24-13-7-11(6-12(8-13)21(22)23)20-14(25)19-10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,20,25)