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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-16(2)12-13-23-20(27)15-29-22-25-24-21(17-8-7-11-19(14-17)28-3)26(22)18-9-5-4-6-10-18/h4-11,14,16H,12-13,15H2,1-3H3,(H,23,27)