ethyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-3-27-15-24-26-23(27)30-14-19-21(22(28)29-4-2)20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)25-19/h5-13,15H,3-4,14H2,1-2H3