1-(6-ethyl-2,2,4-trimethyl-quinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(6-ethyl-2,2,4-trimethyl-quinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(6-ethyl-2,2,4-trimethyl-1-quinolyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(6-ethyl-2,2,4-trimethyl-1-quinolinyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(6-ethyl-2,2,4-trimethylquinolin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(6-ethyl-2,2,4-trimethyl-1-quinolyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NC=NN3

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C18H22N4OS/c1-5-13-6-7-15-14(8-13)12(2)9-18(3,4)22(15)16(23)10-24-17-19-11-20-21-17/h6-9,11H,5,10H2,1-4H3,(H,19,20,21)