1-(3-cyanophenyl)-3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-cyanophenyl)-3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-cyanophenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(3-cyanophenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-cyanophenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-cyanophenyl)-3-[2-fluoro-4-(trifluoromethyl)benzyl]thiourea Formula: C16H11F4N3S MolecularWeight: 353.337253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F)C#N

InChI

InChI=1S/C16H11F4N3S/c17-14-7-12(16(18,19)20)5-4-11(14)9-22-15(24)23-13-3-1-2-10(6-13)8-21/h1-7H,9H2,(H2,22,23,24)