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

Systemtic Name: 1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-pyridylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-pyridinylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-pyridylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea Formula: C14H12F3N3S MolecularWeight: 311.32539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H12F3N3S/c15-14(16,17)11-3-5-12(6-4-11)20-13(21)19-9-10-2-1-7-18-8-10/h1-8H,9H2,(H2,19,20,21)