2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[2-(butylthio)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[2-(butylthio)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H22N4OS2 MolecularWeight: 350.50208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N

Isomeric SMILES

CCCCSCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N

InChI

InChI=1S/C16H22N4OS2/c1-2-3-10-22-11-9-15-18-19-16(23-12-14(17)21)20(15)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,17,21)