1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C12H14F3N3O3S MolecularWeight: 337.31807

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COCCCNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

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