1-(2-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]triazole-4-carboxamide CAS Name: 1-(2-bromophenyl)-N-[1-[4-(methylthio)phenyl]ethyl]-4-triazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]triazole-4-carboxamide Traditional Name: 1-(2-bromophenyl)-N-[1-[4-(methylthio)phenyl]ethyl]triazole-4-carboxamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN4OS/c1-12(13-7-9-14(25-2)10-8-13)20-18(24)16-11-23(22-21-16)17-6-4-3-5-15(17)19/h3-12H,1-2H3,(H,20,24)