ethyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-4-28-21(16-10-12-24-13-11-16)26-27-23(28)31-14-19-20(22(29)30-5-2)15(3)17-8-6-7-9-18(17)25-19/h6-13H,4-5,14H2,1-3H3