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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H17BrN6OS MolecularWeight: 481.36828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C21H17BrN6OS/c1-14-12-15(22)8-9-17(14)25-20(29)19-18(13-30-21-23-10-5-11-24-21)28(27-26-19)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,25,29)