3-[2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2C3=C(C=C(C=C3)OCC)C(=CC2(C)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2C3=C(C=C(C=C3)OCC)C(=CC2(C)C)C

InChI

InChI=1S/C21H28N4O3S/c1-6-10-24-19(27)22-23-20(24)29-13-18(26)25-17-9-8-15(28-7-2)11-16(17)14(3)12-21(25,4)5/h8-9,11-12H,6-7,10,13H2,1-5H3,(H,22,27)