N-(4-bromanyl-2-fluoranyl-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C20H14BrFN6OS MolecularWeight: 485.332163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrFN6OS/c21-13-7-8-16(15(22)11-13)25-19(29)18-17(12-30-20-23-9-4-10-24-20)28(27-26-18)14-5-2-1-3-6-14/h1-11H,12H2,(H,25,29)