N-[2-[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-15(26)22-13-12-20-23-24-21(25(20)17-10-6-7-11-19(17)28-2)29-14-18(27)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,22,26)