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

Systemtic Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

InChI

InChI=1S/C18H20N4O2S/c1-4-15-20-18(22-21-15)25-10-14-16(17(23)24-5-2)11(3)12-8-6-7-9-13(12)19-14/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)