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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H17FN6OS MolecularWeight: 420.462683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)F)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)F)CSC4=NC=CC=N4

InChI

InChI=1S/C21H17FN6OS/c22-16-9-7-15(8-10-16)13-25-20(29)19-18(14-30-21-23-11-4-12-24-21)28(27-26-19)17-5-2-1-3-6-17/h1-12H,13-14H2,(H,25,29)