1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c31-23(30-16-15-19-9-7-8-14-22(19)17-30)18-32-26-27-24(20-10-3-1-4-11-20)25(28-29-26)21-12-5-2-6-13-21/h1-14H,15-18H2