1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-N-[3-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C21H15F3N6OS MolecularWeight: 456.44361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)CSC4=NC=CC=N4

InChI

InChI=1S/C21H15F3N6OS/c22-21(23,24)14-6-4-7-15(12-14)27-19(31)18-17(13-32-20-25-10-5-11-26-20)30(29-28-18)16-8-2-1-3-9-16/h1-12H,13H2,(H,27,31)