ethyl 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C20H24N4O3S/c1-4-6-7-18-22-23-20(24(18)3)28-12-14-11-17(25)15-10-13(19(26)27-5-2)8-9-16(15)21-14/h8-11H,4-7,12H2,1-3H3,(H,21,25)