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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H19FN6OS MolecularWeight: 434.489263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)F)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)F)CSC4=NC=CC=N4

InChI

InChI=1S/C22H19FN6OS/c23-17-9-7-16(8-10-17)11-14-24-21(30)20-19(15-31-22-25-12-4-13-26-22)29(28-27-20)18-5-2-1-3-6-18/h1-10,12-13H,11,14-15H2,(H,24,30)