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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

InChI

InChI=1S/C19H22N4O3S/c1-4-10-23-18(25)21-22-19(23)27-11-15-16(17(24)26-5-2)12(3)13-8-6-7-9-14(13)20-15/h6-9H,4-5,10-11H2,1-3H3,(H,21,25)