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

Systemtic Name: 1-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-benzyl-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(phenylmethyl)-1-(3-pyridinylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-benzyl-1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-benzyl-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H18F3N3S MolecularWeight: 401.44793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3S/c22-21(23,24)18-9-4-10-19(12-18)26-20(28)27(14-16-6-2-1-3-7-16)15-17-8-5-11-25-13-17/h1-13H,14-15H2,(H,26,28)