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

Systemtic Name: 1-(4-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C14H10F3N5O4S MolecularWeight: 401.32051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10F3N5O4S/c15-14(16,17)8-1-6-11(12(7-8)22(25)26)19-20-13(27)18-9-2-4-10(5-3-9)21(23)24/h1-7,19H,(H2,18,20,27)