1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H14N4OS MolecularWeight: 274.34146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H14N4OS/c18-12(8-19-13-14-9-15-16-13)17-6-5-10-3-1-2-4-11(10)7-17/h1-4,9H,5-8H2,(H,14,15,16)