2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[2-(2-thienyl)ethyl]acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5O2S2/c1-29-18-6-4-17(5-7-18)27-21(16-8-11-23-12-9-16)25-26-22(27)31-15-20(28)24-13-10-19-3-2-14-30-19/h2-9,11-12,14H,10,13,15H2,1H3,(H,24,28)