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

Systemtic Name: (4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl quinoline-3-carboxylate Openeye Name: (4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl quinoline-3-carboxylate CAS Name: 3-quinolinecarboxylic acid [(4-methyl-1,2,4-triazol-3-yl)thio]methyl ester IUPAC Name: (4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl quinoline-3-carboxylate Traditional Name: quinoline-3-carboxylic acid [(4-methyl-1,2,4-triazol-3-yl)thio]methyl ester Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCOC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CN1C=NN=C1SCOC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C14H12N4O2S/c1-18-8-16-17-14(18)21-9-20-13(19)11-6-10-4-2-3-5-12(10)15-7-11/h2-8H,9H2,1H3