2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H30N4O2S MolecularWeight: 438.5856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2S/c1-19(2)14-16-28-22(17-30-21-11-7-4-8-12-21)26-27-24(28)31-18-23(29)25-15-13-20-9-5-3-6-10-20/h3-12,19H,13-18H2,1-2H3,(H,25,29)