2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-thiomorpholin-4-yl-ethanone

Systemtic Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-1-thiomorpholino-ethanone CAS Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-tetrazolyl]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-1-thiomorpholino-ethanone Formula: C17H22N6OS MolecularWeight: 358.46118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CC(=O)N4CCSCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CC(=O)N4CCSCC4

InChI

InChI=1S/C17H22N6OS/c24-17(22-7-9-25-10-8-22)13-23-16(18-19-20-23)12-21-6-5-14-3-1-2-4-15(14)11-21/h1-4H,5-13H2