5-[3-[7-(azepan-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-N,4-dimethyl-1,2,4-triazol-3-amine

Systemtic Name: 5-[3-[7-(azepan-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-N,4-dimethyl-1,2,4-triazol-3-amine Openeye Name: 5-[3-[7-(azepan-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-N,4-dimethyl-1,2,4-triazol-3-amine CAS Name: 5-[3-[7-(1-azepanylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylthio]-N,4-dimethyl-1,2,4-triazol-3-amine IUPAC Name: 5-[3-[7-(azepan-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-N,4-dimethyl-1,2,4-triazol-3-amine Traditional Name: [5-[3-[7-(azepan-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylthio]-4-methyl-1,2,4-triazol-3-yl]-methyl-amine Formula: C22H34N6O2S2 MolecularWeight: 478.67436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(N1C)SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CNC1=NN=C(N1C)SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H34N6O2S2/c1-23-21-24-25-22(26(21)2)31-15-7-11-27-14-10-18-8-9-20(16-19(18)17-27)32(29,30)28-12-5-3-4-6-13-28/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,24)