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

Systemtic Name: 1-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-propyl-thiourea Openeye Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-propyl-thiourea CAS Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-propylthiourea IUPAC Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-propylthiourea Traditional Name: 1-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-propyl-thiourea Formula: C12H14F3N3O3S MolecularWeight: 337.31807

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC(=CC(=C1)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)NC1=CC(=CC(=C1)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O3S/c1-2-3-16-11(22)17-8-4-9(18(19)20)6-10(5-8)21-7-12(13,14)15/h4-6H,2-3,7H2,1H3,(H2,16,17,22)