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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-p-anisyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-13-25-19(14-16-9-11-18(27-2)12-10-16)23-24-21(25)28-15-20(26)22-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,22,26)