2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC=NN3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC=NN3)(C)C

InChI

InChI=1S/C16H18N4OS/c1-11-8-16(2,3)20(13-7-5-4-6-12(11)13)14(21)9-22-15-17-10-18-19-15/h4-8,10H,9H2,1-3H3,(H,17,18,19)