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

Systemtic Name: 1-butyl-3-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-butyl-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-butyl-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-butyl-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-butyl-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C13H16F3N3O3S MolecularWeight: 351.34465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3O3S/c1-2-3-4-17-12(23)18-9-5-10(19(20)21)7-11(6-9)22-8-13(14,15)16/h5-7H,2-4,8H2,1H3,(H2,17,18,23)