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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3O3S/c1-7(2)16-11(22)17-8-3-9(18(19)20)5-10(4-8)21-6-12(13,14)15/h3-5,7H,6H2,1-2H3,(H2,16,17,22)