1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C18H17N5OS/c24-16(23-10-7-13-3-1-2-4-15(13)11-23)12-25-18-20-17(21-22-18)14-5-8-19-9-6-14/h1-6,8-9H,7,10-12H2,(H,20,21,22)