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

Systemtic Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

InChI

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