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

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-19(26)22-16-5-4-6-17(11-16)27-2)23-24-20(25)28-13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)