1-(4-butylphenyl)-3-(4-chloranyl-3-fluoranyl-phenyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(4-chloranyl-3-fluoranyl-phenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-chloro-3-fluoro-phenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(4-chloro-3-fluorophenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(4-chloro-3-fluorophenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-chloro-3-fluoro-phenyl)thiourea Formula: C17H18ClFN2S MolecularWeight: 336.854623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C17H18ClFN2S/c1-2-3-4-12-5-7-13(8-6-12)20-17(22)21-14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3,(H2,20,21,22)