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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16(2)13-14-26-19(15-28-18-11-7-4-8-12-18)24-25-22(26)29-20(21(23)27)17-9-5-3-6-10-17/h3-12,16,20H,13-15H2,1-2H3,(H2,23,27)