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

Systemtic Name: ethyl 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(4-methyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[(4-methyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C19H22N4O3S/c1-4-6-17-21-22-19(23(17)3)27-11-13-10-16(24)14-9-12(18(25)26-5-2)7-8-15(14)20-13/h7-10H,4-6,11H2,1-3H3,(H,20,24)