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

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=C(N3C4CC4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=C(N3C4CC4)C

InChI

InChI=1S/C22H28N4O2S/c1-6-28-17-9-10-19-18(11-17)14(2)12-22(4,5)26(19)20(27)13-29-21-24-23-15(3)25(21)16-7-8-16/h9-12,16H,6-8,13H2,1-5H3