2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C24H35N5O3S2 MolecularWeight: 505.6964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H35N5O3S2/c1-2-29-23(26-27-24(29)33-18-22(30)25-20-10-6-5-7-11-20)19-12-14-21(15-13-19)34(31,32)28-16-8-3-4-9-17-28/h12-15,20H,2-11,16-18H2,1H3,(H,25,30)