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

Systemtic Name: 1-(furan-2-ylmethyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-furfuryl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C13H10F3N3O3S MolecularWeight: 345.29701

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H10F3N3O3S/c14-13(15,16)10-6-8(19(20)21)3-4-11(10)18-12(23)17-7-9-2-1-5-22-9/h1-6H,7H2,(H2,17,18,23)