2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4OS/c1-14-10(18)7-19-12-16-15-11(17(12)2)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,18)