2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN4OS/c1-2-24-17(12-18(25)21-16-6-4-3-5-7-16)22-23-19(24)26-13-14-8-10-15(20)11-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)