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

Systemtic Name: methyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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