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

Systemtic Name: ethyl 4-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C)C4=CC=NC=C4

InChI

InChI=1S/C24H25N5O2S/c1-4-14-29-22(17-10-12-25-13-11-17)27-28-24(29)32-15-20-21(23(30)31-5-2)16(3)18-8-6-7-9-19(18)26-20/h6-13H,4-5,14-15H2,1-3H3