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

Systemtic Name: 1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C9H9F3N4O2S MolecularWeight: 294.25357

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H9F3N4O2S/c1-13-8(19)15-14-6-3-2-5(9(10,11)12)4-7(6)16(17)18/h2-4,14H,1H3,(H2,13,15,19)