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

Systemtic Name: methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-4-21-10-18-20-17(21)24-9-14-15(16(22)23-3)11(2)12-7-5-6-8-13(12)19-14/h5-8,10H,4,9H2,1-3H3