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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C23H35N5O2S MolecularWeight: 445.6213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C(C)N3CCCCC3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C(C)N3CCCCC3

InChI

InChI=1S/C23H35N5O2S/c1-5-9-17(2)24-21(29)16-31-23-26-25-22(18(3)27-14-7-6-8-15-27)28(23)19-10-12-20(30-4)13-11-19/h10-13,17-18H,5-9,14-16H2,1-4H3,(H,24,29)