1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)C(C)C

InChI

InChI=1S/C21H28N4O2S/c1-7-27-15-8-9-17-16(10-15)14(4)11-21(5,6)25(17)18(26)12-28-20-22-19(13(2)3)23-24-20/h8-11,13H,7,12H2,1-6H3,(H,22,23,24)