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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2C3=C(C=C(C=C3)OCC)C(=CC2(C)C)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2C3=C(C=C(C=C3)OCC)C(=CC2(C)C)C)C4CC4

InChI

InChI=1S/C23H30N4O2S/c1-6-26-21(16-8-9-16)24-25-22(26)30-14-20(28)27-19-11-10-17(29-7-2)12-18(19)15(3)13-23(27,4)5/h10-13,16H,6-9,14H2,1-5H3