1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(2,2,4,7-tetramethyl-1-quinolyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(2,2,4,7-tetramethyl-1-quinolinyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(2,2,4,7-tetramethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(2,2,4,7-tetramethyl-1-quinolyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC=NN3)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC=NN3)(C)C)C

InChI

InChI=1S/C17H20N4OS/c1-11-5-6-13-12(2)8-17(3,4)21(14(13)7-11)15(22)9-23-16-18-10-19-20-16/h5-8,10H,9H2,1-4H3,(H,18,19,20)