1-(4-butylphenyl)-3-(4-fluoranyl-2-nitro-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

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