2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=CN3C)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=CN3C)(C)C

InChI

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