1-(2,6-diethylphenyl)-3-(4-fluoranyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-(4-fluoranyl-3-nitro-phenyl)thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-(4-fluoro-3-nitro-phenyl)thiourea CAS Name: 1-(2,6-diethylphenyl)-3-(4-fluoro-3-nitrophenyl)thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-(4-fluoro-3-nitrophenyl)thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-(4-fluoro-3-nitro-phenyl)thiourea Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O2S/c1-3-11-6-5-7-12(4-2)16(11)20-17(24)19-13-8-9-14(18)15(10-13)21(22)23/h5-10H,3-4H2,1-2H3,(H2,19,20,24)