N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]hexanamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]hexanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)hexanamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]hexanamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)hexanamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]hexanamide Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(=NN=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(=O)NN1C(=NN=C1SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N4OS/c1-3-4-6-11-15(21)19-20-13(2)17-18-16(20)22-12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3,(H,19,21)