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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

InChI

InChI=1S/C20H24N4O3S/c1-4-6-11-24-19(26)22-23-20(24)28-12-16-17(18(25)27-5-2)13(3)14-9-7-8-10-15(14)21-16/h7-10H,4-6,11-12H2,1-3H3,(H,22,26)