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

Systemtic Name: methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-3-26-14-23-25-22(26)29-13-18-20(21(27)28-2)19(15-9-5-4-6-10-15)16-11-7-8-12-17(16)24-18/h4-12,14H,3,13H2,1-2H3