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

Systemtic Name: 1-(4-ethylphenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-(4-ethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C16H15F3N4O2S MolecularWeight: 384.37611

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15F3N4O2S/c1-2-10-3-6-12(7-4-10)20-15(26)22-21-13-8-5-11(16(17,18)19)9-14(13)23(24)25/h3-9,21H,2H2,1H3,(H2,20,22,26)