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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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