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

Systemtic Name: 1-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-pyridylmethyl)thiourea CAS Name: 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[2-fluoro-4-(trifluoromethyl)benzyl]-3-(3-pyridylmethyl)thiourea Formula: C15H13F4N3S MolecularWeight: 343.342433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F

InChI

InChI=1S/C15H13F4N3S/c16-13-6-12(15(17,18)19)4-3-11(13)9-22-14(23)21-8-10-2-1-5-20-7-10/h1-7H,8-9H2,(H2,21,22,23)